5-[(4-aminocyclohexyl)methylamino]-2-butoxyphenol;N-[(4-aminocyclohexyl)methyl]-4-butoxy-6-methylpyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-4-butoxy-2-nitroaniline;N-[(4-aminocyclohexyl)methyl]-6-butoxypyridin-3-amine;N-[(4-aminocyclohexyl)methyl]-4-methyl-6-phenoxypyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-6-phenoxypyridin-3-amine;hexakis(2-methylpropane-2-sulfinate)

C126H211N19O21S6-6 — CID 159416466

IUPAC5-[(4-aminocyclohexyl)methylamino]-2-butoxyphenol;N-[(4-aminocyclohexyl)methyl]-4-butoxy-6-methylpyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-4-butoxy-2-nitroaniline;N-[(4-aminocyclohexyl)methyl]-6-butoxypyridin-3-amine;N-[(4-aminocyclohexyl)methyl]-4-methyl-6-phenoxypyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-6-phenoxypyridin-3-amine;hexakis(2-methylpropane-2-sulfinate)
SMILESCC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CCCCOc1cc(C)nc(NCC2CCC(N)CC2)n1.CCCCOc1ccc(NCC2CCC(N)CC2)c([N+](=O)[O-])c1.CCCCOc1ccc(NCC2CCC(N)CC2)cc1O.CCCCOc1ccc(NCC2CCC(N)CC2)cn1.Cc1cc(Oc2ccccc2)nc(NCC2CCC(N)CC2)n1.NC1CCC(CNc2ccc(Oc3ccccc3)nc2)CC1
InChIInChI=1S/C18H24N4O.C18H23N3O.C17H27N3O3.C17H28N2O2.C16H28N4O.C16H27N3O.6C4H10O2S/c1-13-11-17(23-16-5-3-2-4-6-16)22-18(21-13)20-12-14-7-9-15(19)10-8-14;19-15-8-6-14(7-9-15)12-20-16-10-11-18(21-13-16)22-17-4-2-1-3-5-17;1-2-3-10-23-15-8-9-16(17(11-15)20(21)22)19-12-13-4-6-14(18)7-5-13;1-2-3-10-21-17-9-8-15(11-16(17)20)19-12-13-4-6-14(18)7-5-13;1-3-4-9-21-15-10-12(2)19-16(20-15)18-11-13-5-7-14(17)8-6-13;1-2-3-10-20-16-9-8-15(12-19-16)18-11-13-4-6-14(17)7-5-13;6*1-4(2,3)7(5)6/h2-6,11,14-15H,7-10,12,19H2,1H3,(H,20,21,22);1-5,10-11,13-15,20H,6-9,12,19H2;8-9,11,13-14,19H,2-7,10,12,18H2,1H3;8-9,11,13-14,19-20H,2-7,10,12,18H2,1H3;10,13-14H,3-9,11,17H2,1-2H3,(H,18,19,20);8-9,12-14,18H,2-7,10-11,17H2,1H3;6*1-3H3,(H,5,6)/p-6
InChIKeyXDOFGCIEXWDMKX-UHFFFAOYSA-H
MW2520.59 g/mol
LogP24.58
Rot. Bonds39

About 5-[(4-aminocyclohexyl)methylamino]-2-butoxyphenol;N-[(4-aminocyclohexyl)methyl]-4-butoxy-6-methylpyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-4-butoxy-2-nitroaniline;N-[(4-aminocyclohexyl)methyl]-6-butoxypyridin-3-amine;N-[(4-aminocyclohexyl)methyl]-4-methyl-6-phenoxypyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-6-phenoxypyridin-3-amine;hexakis(2-methylpropane-2-sulfinate)

5-[(4-aminocyclohexyl)methylamino]-2-butoxyphenol;N-[(4-aminocyclohexyl)methyl]-4-butoxy-6-methylpyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-4-butoxy-2-nitroaniline;N-[(4-aminocyclohexyl)methyl]-6-butoxypyridin-3-amine;N-[(4-aminocyclohexyl)methyl]-4-methyl-6-phenoxypyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-6-phenoxypyridin-3-amine;hexakis(2-methylpropane-2-sulfinate) (PubChem CID 159416466) has the molecular formula C126H211N19O21S6-6 and a molecular weight of 2520.59 g/mol. Its IUPAC name is 5-[(4-aminocyclohexyl)methylamino]-2-butoxyphenol;N-[(4-aminocyclohexyl)methyl]-4-butoxy-6-methylpyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-4-butoxy-2-nitroaniline;N-[(4-aminocyclohexyl)methyl]-6-butoxypyridin-3-amine;N-[(4-aminocyclohexyl)methyl]-4-methyl-6-phenoxypyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-6-phenoxypyridin-3-amine;hexakis(2-methylpropane-2-sulfinate).

Molecular Properties

Compound Name5-[(4-aminocyclohexyl)methylamino]-2-butoxyphenol;N-[(4-aminocyclohexyl)methyl]-4-butoxy-6-methylpyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-4-butoxy-2-nitroaniline;N-[(4-aminocyclohexyl)methyl]-6-butoxypyridin-3-amine;N-[(4-aminocyclohexyl)methyl]-4-methyl-6-phenoxypyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-6-phenoxypyridin-3-amine;hexakis(2-methylpropane-2-sulfinate)
PubChem CID159416466
Molecular FormulaC126H211N19O21S6-6
Molecular Weight2520.59 g/mol
Exact Mass2518.44
IUPAC Name5-[(4-aminocyclohexyl)methylamino]-2-butoxyphenol;N-[(4-aminocyclohexyl)methyl]-4-butoxy-6-methylpyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-4-butoxy-2-nitroaniline;N-[(4-aminocyclohexyl)methyl]-6-butoxypyridin-3-amine;N-[(4-aminocyclohexyl)methyl]-4-methyl-6-phenoxypyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-6-phenoxypyridin-3-amine;hexakis(2-methylpropane-2-sulfinate)
SMILESCC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CCCCOc1cc(C)nc(NCC2CCC(N)CC2)n1.CCCCOc1ccc(NCC2CCC(N)CC2)c([N+](=O)[O-])c1.CCCCOc1ccc(NCC2CCC(N)CC2)cc1O.CCCCOc1ccc(NCC2CCC(N)CC2)cn1.Cc1cc(Oc2ccccc2)nc(NCC2CCC(N)CC2)n1.NC1CCC(CNc2ccc(Oc3ccccc3)nc2)CC1
InChIInChI=1S/C18H24N4O.C18H23N3O.C17H27N3O3.C17H28N2O2.C16H28N4O.C16H27N3O.6C4H10O2S/c1-13-11-17(23-16-5-3-2-4-6-16)22-18(21-13)20-12-14-7-9-15(19)10-8-14;19-15-8-6-14(7-9-15)12-20-16-10-11-18(21-13-16)22-17-4-2-1-3-5-17;1-2-3-10-23-15-8-9-16(17(11-15)20(21)22)19-12-13-4-6-14(18)7-5-13;1-2-3-10-21-17-9-8-15(11-16(17)20)19-12-13-4-6-14(18)7-5-13;1-3-4-9-21-15-10-12(2)19-16(20-15)18-11-13-5-7-14(17)8-6-13;1-2-3-10-20-16-9-8-15(12-19-16)18-11-13-4-6-14(17)7-5-13;6*1-4(2,3)7(5)6/h2-6,11,14-15H,7-10,12,19H2,1H3,(H,20,21,22);1-5,10-11,13-15,20H,6-9,12,19H2;8-9,11,13-14,19H,2-7,10,12,18H2,1H3;8-9,11,13-14,19-20H,2-7,10,12,18H2,1H3;10,13-14H,3-9,11,17H2,1-2H3,(H,18,19,20);8-9,12-14,18H,2-7,10-11,17H2,1H3;6*1-3H3,(H,5,6)/p-6
InChIKeyXDOFGCIEXWDMKX-UHFFFAOYSA-H
XLogP24.58
TPSA665.17 Ų
H-Bond Donors13
H-Bond Acceptors39
Rotatable Bonds39
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002520.59
LogP ≤ 524.58
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 5-[(4-aminocyclohexyl)methylamino]-2-butoxyphenol;N-[(4-aminocyclohexyl)methyl]-4-butoxy-6-methylpyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-4-butoxy-2-nitroaniline;N-[(4-aminocyclohexyl)methyl]-6-butoxypyridin-3-amine;N-[(4-aminocyclohexyl)methyl]-4-methyl-6-phenoxypyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-6-phenoxypyridin-3-amine;hexakis(2-methylpropane-2-sulfinate) with MolForge

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Related Compounds

5-[(4-aminocyclohexyl)methylamino]-2-butoxyphenol
CID 59230219
N-(2-amino-4-pentylphenyl)-5-(tert-butylsulfonylamino)pentanamide;N-(4-butoxy-2-hydroxyphenyl)-5-(tert-butylsulfonylamino)pentanamide;N-(4-butoxy-3-hydroxyphenyl)-5-(tert-butylsulfonylamino)pentanamide;N-(4-butoxy-6-methylpyrimidin-2-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(4-butoxy-2-nitrophenyl)-5-(tert-butylsulfonylamino)pentanamide;N-(3-butoxyphenyl)-5-(tert-butylsulfonylamino)pentanamide;N-(4-butoxyphenyl)-5-(tert-butylsulfonylamino)pentanamide;N-(6-butoxy-3-pyridinyl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(3-ethoxyphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-hydroxyphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[3-(methoxymethoxy)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(4-methyl-6-phenoxypyrimidin-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(6-phenoxy-3-pyridinyl)pentanamide;methyl 2-[3-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]acetate
CID 158337080
4-methyl-N-[(3-methylcyclopentyl)methyl]-6-propoxypyrimidin-2-amine
CID 107414062
4-(2-cyclopropylethoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 106207480
N-(4-butoxy-2-nitrophenyl)formamide
CID 58958317
3-butoxy-N-(cyclohexylmethyl)aniline
CID 54800630
1-[4-[2-(cyclopropylmethylamino)-6-methylpyrimidin-4-yl]oxynaphthalen-1-yl]-3-propan-2-ylurea
CID 148632224
4-[[(3-butoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 59230604
[3-nitro-4-(oxan-4-ylmethylamino)phenyl]carbamic acid
CID 68840729
2-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide
CID 119849182
S-[4-[(4-methylcyclohexyl)methylamino]-3-nitrophenyl]thiohydroxylamine
CID 142622471
4-ethoxy-2-nitro-N-(oxan-3-ylmethyl)aniline
CID 63740388

Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminocyclohexyl)methylamino]-2-butoxyphenol;N-[(4-aminocyclohexyl)methyl]-4-butoxy-6-methylpyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-4-butoxy-2-nitroaniline;N-[(4-aminocyclohexyl)methyl]-6-butoxypyridin-3-amine;N-[(4-aminocyclohexyl)methyl]-4-methyl-6-phenoxypyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-6-phenoxypyridin-3-amine;hexakis(2-methylpropane-2-sulfinate)?
The IUPAC name of 5-[(4-aminocyclohexyl)methylamino]-2-butoxyphenol;N-[(4-aminocyclohexyl)methyl]-4-butoxy-6-methylpyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-4-butoxy-2-nitroaniline;N-[(4-aminocyclohexyl)methyl]-6-butoxypyridin-3-amine;N-[(4-aminocyclohexyl)methyl]-4-methyl-6-phenoxypyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-6-phenoxypyridin-3-amine;hexakis(2-methylpropane-2-sulfinate) (CID 159416466) is 5-[(4-aminocyclohexyl)methylamino]-2-butoxyphenol;N-[(4-aminocyclohexyl)methyl]-4-butoxy-6-methylpyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-4-butoxy-2-nitroaniline;N-[(4-aminocyclohexyl)methyl]-6-butoxypyridin-3-amine;N-[(4-aminocyclohexyl)methyl]-4-methyl-6-phenoxypyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-6-phenoxypyridin-3-amine;hexakis(2-methylpropane-2-sulfinate).
What is the SMILES notation for 5-[(4-aminocyclohexyl)methylamino]-2-butoxyphenol;N-[(4-aminocyclohexyl)methyl]-4-butoxy-6-methylpyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-4-butoxy-2-nitroaniline;N-[(4-aminocyclohexyl)methyl]-6-butoxypyridin-3-amine;N-[(4-aminocyclohexyl)methyl]-4-methyl-6-phenoxypyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-6-phenoxypyridin-3-amine;hexakis(2-methylpropane-2-sulfinate)?
The canonical SMILES for 5-[(4-aminocyclohexyl)methylamino]-2-butoxyphenol;N-[(4-aminocyclohexyl)methyl]-4-butoxy-6-methylpyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-4-butoxy-2-nitroaniline;N-[(4-aminocyclohexyl)methyl]-6-butoxypyridin-3-amine;N-[(4-aminocyclohexyl)methyl]-4-methyl-6-phenoxypyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-6-phenoxypyridin-3-amine;hexakis(2-methylpropane-2-sulfinate) is CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CCCCOc1cc(C)nc(NCC2CCC(N)CC2)n1.CCCCOc1ccc(NCC2CCC(N)CC2)c([N+](=O)[O-])c1.CCCCOc1ccc(NCC2CCC(N)CC2)cc1O.CCCCOc1ccc(NCC2CCC(N)CC2)cn1.Cc1cc(Oc2ccccc2)nc(NCC2CCC(N)CC2)n1.NC1CCC(CNc2ccc(Oc3ccccc3)nc2)CC1.
What is the InChIKey of 5-[(4-aminocyclohexyl)methylamino]-2-butoxyphenol;N-[(4-aminocyclohexyl)methyl]-4-butoxy-6-methylpyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-4-butoxy-2-nitroaniline;N-[(4-aminocyclohexyl)methyl]-6-butoxypyridin-3-amine;N-[(4-aminocyclohexyl)methyl]-4-methyl-6-phenoxypyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-6-phenoxypyridin-3-amine;hexakis(2-methylpropane-2-sulfinate)?
The InChIKey is XDOFGCIEXWDMKX-UHFFFAOYSA-H. The full InChI is InChI=1S/C18H24N4O.C18H23N3O.C17H27N3O3.C17H28N2O2.C16H28N4O.C16H27N3O.6C4H10O2S/c1-13-11-17(23-16-5-3-2-4-6-16)22-18(21-13)20-12-14-7-9-15(19)10-8-14;19-15-8-6-14(7-9-15)12-20-16-10-11-18(21-13-16)22-17-4-2-1-3-5-17;1-2-3-10-23-15-8-9-16(17(11-15)20(21)22)19-12-13-4-6-14(18)7-5-13;1-2-3-10-21-17-9-8-15(11-16(17)20)19-12-13-4-6-14(18)7-5-13;1-3-4-9-21-15-10-12(2)19-16(20-15)18-11-13-5-7-14(17)8-6-13;1-2-3-10-20-16-9-8-15(12-19-16)18-11-13-4-6-14(17)7-5-13;6*1-4(2,3)7(5)6/h2-6,11,14-15H,7-10,12,19H2,1H3,(H,20,21,22);1-5,10-11,13-15,20H,6-9,12,19H2;8-9,11,13-14,19H,2-7,10,12,18H2,1H3;8-9,11,13-14,19-20H,2-7,10,12,18H2,1H3;10,13-14H,3-9,11,17H2,1-2H3,(H,18,19,20);8-9,12-14,18H,2-7,10-11,17H2,1H3;6*1-3H3,(H,5,6)/p-6.
What are the key properties of 5-[(4-aminocyclohexyl)methylamino]-2-butoxyphenol;N-[(4-aminocyclohexyl)methyl]-4-butoxy-6-methylpyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-4-butoxy-2-nitroaniline;N-[(4-aminocyclohexyl)methyl]-6-butoxypyridin-3-amine;N-[(4-aminocyclohexyl)methyl]-4-methyl-6-phenoxypyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-6-phenoxypyridin-3-amine;hexakis(2-methylpropane-2-sulfinate)?
5-[(4-aminocyclohexyl)methylamino]-2-butoxyphenol;N-[(4-aminocyclohexyl)methyl]-4-butoxy-6-methylpyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-4-butoxy-2-nitroaniline;N-[(4-aminocyclohexyl)methyl]-6-butoxypyridin-3-amine;N-[(4-aminocyclohexyl)methyl]-4-methyl-6-phenoxypyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-6-phenoxypyridin-3-amine;hexakis(2-methylpropane-2-sulfinate) has a molecular weight of 2520.59 g/mol, XLogP of 24.58, 39 rotatable bonds, 13 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-aminocyclohexyl)methylamino]-2-butoxyphenol;N-[(4-aminocyclohexyl)methyl]-4-butoxy-6-methylpyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-4-butoxy-2-nitroaniline;N-[(4-aminocyclohexyl)methyl]-6-butoxypyridin-3-amine;N-[(4-aminocyclohexyl)methyl]-4-methyl-6-phenoxypyrimidin-2-amine;N-[(4-aminocyclohexyl)methyl]-6-phenoxypyridin-3-amine;hexakis(2-methylpropane-2-sulfinate) is sourced from PubChem (CID 159416466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).