2-[(4-aminocyclohexyl)methylamino]fluoren-9-one;4-[4-[(4-aminocyclohexyl)methylamino]phenyl]benzonitrile;N-[(4-aminocyclohexyl)methyl]-2-methoxydibenzofuran-3-amine;N-[(4-aminocyclohexyl)methyl]-3-phenoxyaniline;N-[(4-aminocyclohexyl)methyl]-4-(4-phenylphenyl)aniline;2-methylbutyl (E)-3-[4-[(4-aminocyclohexyl)methylamino]phenyl]prop-2-enoate;hexakis(2-methylpropane-2-sulfinate)

C149H207N13O18S6-6 — CID 161301069

IUPAC2-[(4-aminocyclohexyl)methylamino]fluoren-9-one;4-[4-[(4-aminocyclohexyl)methylamino]phenyl]benzonitrile;N-[(4-aminocyclohexyl)methyl]-2-methoxydibenzofuran-3-amine;N-[(4-aminocyclohexyl)methyl]-3-phenoxyaniline;N-[(4-aminocyclohexyl)methyl]-4-(4-phenylphenyl)aniline;2-methylbutyl (E)-3-[4-[(4-aminocyclohexyl)methylamino]phenyl]prop-2-enoate;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-].CCC(C)COC(=O)/C=C/c1ccc(NCC2CCC(N)CC2)cc1.COc1cc2c(cc1NCC1CCC(N)CC1)oc1ccccc12.N#Cc1ccc(-c2ccc(NCC3CCC(N)CC3)cc2)cc1.NC1CCC(CNc2ccc(-c3ccc(-c4ccccc4)cc3)cc2)CC1.NC1CCC(CNc2ccc3c(c2)C(=O)c2ccccc2-3)CC1.NC1CCC(CNc2cccc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C25H28N2.C21H32N2O2.C20H23N3.C20H24N2O2.C20H22N2O.C19H24N2O.6C4H10O2S/c26-24-14-6-19(7-15-24)18-27-25-16-12-23(13-17-25)22-10-8-21(9-11-22)20-4-2-1-3-5-20;1-3-16(2)15-25-21(24)13-8-17-6-11-20(12-7-17)23-14-18-4-9-19(22)10-5-18;21-13-15-1-5-17(6-2-15)18-7-11-20(12-8-18)23-14-16-3-9-19(22)10-4-16;1-23-20-10-16-15-4-2-3-5-18(15)24-19(16)11-17(20)22-12-13-6-8-14(21)9-7-13;21-14-7-5-13(6-8-14)12-22-15-9-10-17-16-3-1-2-4-18(16)20(23)19(17)11-15;20-16-11-9-15(10-12-16)14-21-17-5-4-8-19(13-17)22-18-6-2-1-3-7-18;6*1-4(2,3)7(5)6/h1-5,8-13,16-17,19,24,27H,6-7,14-15,18,26H2;6-8,11-13,16,18-19,23H,3-5,9-10,14-15,22H2,1-2H3;1-2,5-8,11-12,16,19,23H,3-4,9-10,14,22H2;2-5,10-11,13-14,22H,6-9,12,21H2,1H3;1-4,9-11,13-14,22H,5-8,12,21H2;1-8,13,15-16,21H,9-12,14,20H2;6*1-3H3,(H,5,6)/p-6/b;13-8+;;;;;;;;;;
InChIKeyIWLBBORFAFICNR-OFFKYVIJSA-H
MW2660.77 g/mol
LogP31.07
Rot. Bonds29

About 2-[(4-aminocyclohexyl)methylamino]fluoren-9-one;4-[4-[(4-aminocyclohexyl)methylamino]phenyl]benzonitrile;N-[(4-aminocyclohexyl)methyl]-2-methoxydibenzofuran-3-amine;N-[(4-aminocyclohexyl)methyl]-3-phenoxyaniline;N-[(4-aminocyclohexyl)methyl]-4-(4-phenylphenyl)aniline;2-methylbutyl (E)-3-[4-[(4-aminocyclohexyl)methylamino]phenyl]prop-2-enoate;hexakis(2-methylpropane-2-sulfinate)

2-[(4-aminocyclohexyl)methylamino]fluoren-9-one;4-[4-[(4-aminocyclohexyl)methylamino]phenyl]benzonitrile;N-[(4-aminocyclohexyl)methyl]-2-methoxydibenzofuran-3-amine;N-[(4-aminocyclohexyl)methyl]-3-phenoxyaniline;N-[(4-aminocyclohexyl)methyl]-4-(4-phenylphenyl)aniline;2-methylbutyl (E)-3-[4-[(4-aminocyclohexyl)methylamino]phenyl]prop-2-enoate;hexakis(2-methylpropane-2-sulfinate) (PubChem CID 161301069) has the molecular formula C149H207N13O18S6-6 and a molecular weight of 2660.77 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)methylamino]fluoren-9-one;4-[4-[(4-aminocyclohexyl)methylamino]phenyl]benzonitrile;N-[(4-aminocyclohexyl)methyl]-2-methoxydibenzofuran-3-amine;N-[(4-aminocyclohexyl)methyl]-3-phenoxyaniline;N-[(4-aminocyclohexyl)methyl]-4-(4-phenylphenyl)aniline;2-methylbutyl (E)-3-[4-[(4-aminocyclohexyl)methylamino]phenyl]prop-2-enoate;hexakis(2-methylpropane-2-sulfinate).

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)methylamino]fluoren-9-one;4-[4-[(4-aminocyclohexyl)methylamino]phenyl]benzonitrile;N-[(4-aminocyclohexyl)methyl]-2-methoxydibenzofuran-3-amine;N-[(4-aminocyclohexyl)methyl]-3-phenoxyaniline;N-[(4-aminocyclohexyl)methyl]-4-(4-phenylphenyl)aniline;2-methylbutyl (E)-3-[4-[(4-aminocyclohexyl)methylamino]phenyl]prop-2-enoate;hexakis(2-methylpropane-2-sulfinate)
PubChem CID161301069
Molecular FormulaC149H207N13O18S6-6
Molecular Weight2660.77 g/mol
Exact Mass2658.40
IUPAC Name2-[(4-aminocyclohexyl)methylamino]fluoren-9-one;4-[4-[(4-aminocyclohexyl)methylamino]phenyl]benzonitrile;N-[(4-aminocyclohexyl)methyl]-2-methoxydibenzofuran-3-amine;N-[(4-aminocyclohexyl)methyl]-3-phenoxyaniline;N-[(4-aminocyclohexyl)methyl]-4-(4-phenylphenyl)aniline;2-methylbutyl (E)-3-[4-[(4-aminocyclohexyl)methylamino]phenyl]prop-2-enoate;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-].CCC(C)COC(=O)/C=C/c1ccc(NCC2CCC(N)CC2)cc1.COc1cc2c(cc1NCC1CCC(N)CC1)oc1ccccc12.N#Cc1ccc(-c2ccc(NCC3CCC(N)CC3)cc2)cc1.NC1CCC(CNc2ccc(-c3ccc(-c4ccccc4)cc3)cc2)CC1.NC1CCC(CNc2ccc3c(c2)C(=O)c2ccccc2-3)CC1.NC1CCC(CNc2cccc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C25H28N2.C21H32N2O2.C20H23N3.C20H24N2O2.C20H22N2O.C19H24N2O.6C4H10O2S/c26-24-14-6-19(7-15-24)18-27-25-16-12-23(13-17-25)22-10-8-21(9-11-22)20-4-2-1-3-5-20;1-3-16(2)15-25-21(24)13-8-17-6-11-20(12-7-17)23-14-18-4-9-19(22)10-5-18;21-13-15-1-5-17(6-2-15)18-7-11-20(12-8-18)23-14-16-3-9-19(22)10-4-16;1-23-20-10-16-15-4-2-3-5-18(15)24-19(16)11-17(20)22-12-13-6-8-14(21)9-7-13;21-14-7-5-13(6-8-14)12-22-15-9-10-17-16-3-1-2-4-18(16)20(23)19(17)11-15;20-16-11-9-15(10-12-16)14-21-17-5-4-8-19(13-17)22-18-6-2-1-3-7-18;6*1-4(2,3)7(5)6/h1-5,8-13,16-17,19,24,27H,6-7,14-15,18,26H2;6-8,11-13,16,18-19,23H,3-5,9-10,14-15,22H2,1-2H3;1-2,5-8,11-12,16,19,23H,3-4,9-10,14,22H2;2-5,10-11,13-14,22H,6-9,12,21H2,1H3;1-4,9-11,13-14,22H,5-8,12,21H2;1-8,13,15-16,21H,9-12,14,20H2;6*1-3H3,(H,5,6)/p-6/b;13-8+;;;;;;;;;;
InChIKeyIWLBBORFAFICNR-OFFKYVIJSA-H
XLogP31.07
TPSA567.84 Ų
H-Bond Donors12
H-Bond Acceptors31
Rotatable Bonds29
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002660.77
LogP ≤ 531.07
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_alk_A(4)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 2-[(4-aminocyclohexyl)methylamino]fluoren-9-one;4-[4-[(4-aminocyclohexyl)methylamino]phenyl]benzonitrile;N-[(4-aminocyclohexyl)methyl]-2-methoxydibenzofuran-3-amine;N-[(4-aminocyclohexyl)methyl]-3-phenoxyaniline;N-[(4-aminocyclohexyl)methyl]-4-(4-phenylphenyl)aniline;2-methylbutyl (E)-3-[4-[(4-aminocyclohexyl)methylamino]phenyl]prop-2-enoate;hexakis(2-methylpropane-2-sulfinate) with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)methylamino]fluoren-9-one;4-[4-[(4-aminocyclohexyl)methylamino]phenyl]benzonitrile;N-[(4-aminocyclohexyl)methyl]-2-methoxydibenzofuran-3-amine;N-[(4-aminocyclohexyl)methyl]-3-phenoxyaniline;N-[(4-aminocyclohexyl)methyl]-4-(4-phenylphenyl)aniline;2-methylbutyl (E)-3-[4-[(4-aminocyclohexyl)methylamino]phenyl]prop-2-enoate;hexakis(2-methylpropane-2-sulfinate)?
The IUPAC name of 2-[(4-aminocyclohexyl)methylamino]fluoren-9-one;4-[4-[(4-aminocyclohexyl)methylamino]phenyl]benzonitrile;N-[(4-aminocyclohexyl)methyl]-2-methoxydibenzofuran-3-amine;N-[(4-aminocyclohexyl)methyl]-3-phenoxyaniline;N-[(4-aminocyclohexyl)methyl]-4-(4-phenylphenyl)aniline;2-methylbutyl (E)-3-[4-[(4-aminocyclohexyl)methylamino]phenyl]prop-2-enoate;hexakis(2-methylpropane-2-sulfinate) (CID 161301069) is 2-[(4-aminocyclohexyl)methylamino]fluoren-9-one;4-[4-[(4-aminocyclohexyl)methylamino]phenyl]benzonitrile;N-[(4-aminocyclohexyl)methyl]-2-methoxydibenzofuran-3-amine;N-[(4-aminocyclohexyl)methyl]-3-phenoxyaniline;N-[(4-aminocyclohexyl)methyl]-4-(4-phenylphenyl)aniline;2-methylbutyl (E)-3-[4-[(4-aminocyclohexyl)methylamino]phenyl]prop-2-enoate;hexakis(2-methylpropane-2-sulfinate).
What is the SMILES notation for 2-[(4-aminocyclohexyl)methylamino]fluoren-9-one;4-[4-[(4-aminocyclohexyl)methylamino]phenyl]benzonitrile;N-[(4-aminocyclohexyl)methyl]-2-methoxydibenzofuran-3-amine;N-[(4-aminocyclohexyl)methyl]-3-phenoxyaniline;N-[(4-aminocyclohexyl)methyl]-4-(4-phenylphenyl)aniline;2-methylbutyl (E)-3-[4-[(4-aminocyclohexyl)methylamino]phenyl]prop-2-enoate;hexakis(2-methylpropane-2-sulfinate)?
The canonical SMILES for 2-[(4-aminocyclohexyl)methylamino]fluoren-9-one;4-[4-[(4-aminocyclohexyl)methylamino]phenyl]benzonitrile;N-[(4-aminocyclohexyl)methyl]-2-methoxydibenzofuran-3-amine;N-[(4-aminocyclohexyl)methyl]-3-phenoxyaniline;N-[(4-aminocyclohexyl)methyl]-4-(4-phenylphenyl)aniline;2-methylbutyl (E)-3-[4-[(4-aminocyclohexyl)methylamino]phenyl]prop-2-enoate;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-].CCC(C)COC(=O)/C=C/c1ccc(NCC2CCC(N)CC2)cc1.COc1cc2c(cc1NCC1CCC(N)CC1)oc1ccccc12.N#Cc1ccc(-c2ccc(NCC3CCC(N)CC3)cc2)cc1.NC1CCC(CNc2ccc(-c3ccc(-c4ccccc4)cc3)cc2)CC1.NC1CCC(CNc2ccc3c(c2)C(=O)c2ccccc2-3)CC1.NC1CCC(CNc2cccc(Oc3ccccc3)c2)CC1.
What is the InChIKey of 2-[(4-aminocyclohexyl)methylamino]fluoren-9-one;4-[4-[(4-aminocyclohexyl)methylamino]phenyl]benzonitrile;N-[(4-aminocyclohexyl)methyl]-2-methoxydibenzofuran-3-amine;N-[(4-aminocyclohexyl)methyl]-3-phenoxyaniline;N-[(4-aminocyclohexyl)methyl]-4-(4-phenylphenyl)aniline;2-methylbutyl (E)-3-[4-[(4-aminocyclohexyl)methylamino]phenyl]prop-2-enoate;hexakis(2-methylpropane-2-sulfinate)?
The InChIKey is IWLBBORFAFICNR-OFFKYVIJSA-H. The full InChI is InChI=1S/C25H28N2.C21H32N2O2.C20H23N3.C20H24N2O2.C20H22N2O.C19H24N2O.6C4H10O2S/c26-24-14-6-19(7-15-24)18-27-25-16-12-23(13-17-25)22-10-8-21(9-11-22)20-4-2-1-3-5-20;1-3-16(2)15-25-21(24)13-8-17-6-11-20(12-7-17)23-14-18-4-9-19(22)10-5-18;21-13-15-1-5-17(6-2-15)18-7-11-20(12-8-18)23-14-16-3-9-19(22)10-4-16;1-23-20-10-16-15-4-2-3-5-18(15)24-19(16)11-17(20)22-12-13-6-8-14(21)9-7-13;21-14-7-5-13(6-8-14)12-22-15-9-10-17-16-3-1-2-4-18(16)20(23)19(17)11-15;20-16-11-9-15(10-12-16)14-21-17-5-4-8-19(13-17)22-18-6-2-1-3-7-18;6*1-4(2,3)7(5)6/h1-5,8-13,16-17,19,24,27H,6-7,14-15,18,26H2;6-8,11-13,16,18-19,23H,3-5,9-10,14-15,22H2,1-2H3;1-2,5-8,11-12,16,19,23H,3-4,9-10,14,22H2;2-5,10-11,13-14,22H,6-9,12,21H2,1H3;1-4,9-11,13-14,22H,5-8,12,21H2;1-8,13,15-16,21H,9-12,14,20H2;6*1-3H3,(H,5,6)/p-6/b;13-8+;;;;;;;;;;.
What are the key properties of 2-[(4-aminocyclohexyl)methylamino]fluoren-9-one;4-[4-[(4-aminocyclohexyl)methylamino]phenyl]benzonitrile;N-[(4-aminocyclohexyl)methyl]-2-methoxydibenzofuran-3-amine;N-[(4-aminocyclohexyl)methyl]-3-phenoxyaniline;N-[(4-aminocyclohexyl)methyl]-4-(4-phenylphenyl)aniline;2-methylbutyl (E)-3-[4-[(4-aminocyclohexyl)methylamino]phenyl]prop-2-enoate;hexakis(2-methylpropane-2-sulfinate)?
2-[(4-aminocyclohexyl)methylamino]fluoren-9-one;4-[4-[(4-aminocyclohexyl)methylamino]phenyl]benzonitrile;N-[(4-aminocyclohexyl)methyl]-2-methoxydibenzofuran-3-amine;N-[(4-aminocyclohexyl)methyl]-3-phenoxyaniline;N-[(4-aminocyclohexyl)methyl]-4-(4-phenylphenyl)aniline;2-methylbutyl (E)-3-[4-[(4-aminocyclohexyl)methylamino]phenyl]prop-2-enoate;hexakis(2-methylpropane-2-sulfinate) has a molecular weight of 2660.77 g/mol, XLogP of 31.07, 29 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)methylamino]fluoren-9-one;4-[4-[(4-aminocyclohexyl)methylamino]phenyl]benzonitrile;N-[(4-aminocyclohexyl)methyl]-2-methoxydibenzofuran-3-amine;N-[(4-aminocyclohexyl)methyl]-3-phenoxyaniline;N-[(4-aminocyclohexyl)methyl]-4-(4-phenylphenyl)aniline;2-methylbutyl (E)-3-[4-[(4-aminocyclohexyl)methylamino]phenyl]prop-2-enoate;hexakis(2-methylpropane-2-sulfinate) is sourced from PubChem (CID 161301069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).