methane;4-methyl-N-[(1-phenylcyclohexyl)methyl]pyridin-2-amine;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)-1-phenylcyclohexane-1-carboxamide;N-(4-methyl-2-pyridinyl)-3-phenyl-N-[(1-phenylcyclohexyl)methyl]propanamide;oxolane;1-phenylcyclohexane-1-carboxylic acid

C93H126N8O5 — CID 158852533

IUPACmethane;4-methyl-N-[(1-phenylcyclohexyl)methyl]pyridin-2-amine;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)-1-phenylcyclohexane-1-carboxamide;N-(4-methyl-2-pyridinyl)-3-phenyl-N-[(1-phenylcyclohexyl)methyl]propanamide;oxolane;1-phenylcyclohexane-1-carboxylic acid
SMILESC.C.C.C.C1CCOC1.Cc1ccnc(N(CC2(c3ccccc3)CCCCC2)C(=O)CCc2ccccc2)c1.Cc1ccnc(N)c1.Cc1ccnc(NC(=O)C2(c3ccccc3)CCCCC2)c1.Cc1ccnc(NCC2(c3ccccc3)CCCCC2)c1.O=C(O)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C28H32N2O.C19H22N2O.C19H24N2.C13H16O2.C6H8N2.C4H8O.4CH4/c1-23-17-20-29-26(21-23)30(27(31)16-15-24-11-5-2-6-12-24)22-28(18-9-4-10-19-28)25-13-7-3-8-14-25;1-15-10-13-20-17(14-15)21-18(22)19(11-6-3-7-12-19)16-8-4-2-5-9-16;1-16-10-13-20-18(14-16)21-15-19(11-6-3-7-12-19)17-8-4-2-5-9-17;14-12(15)13(9-5-2-6-10-13)11-7-3-1-4-8-11;1-5-2-3-8-6(7)4-5;1-2-4-5-3-1;;;;/h2-3,5-8,11-14,17,20-21H,4,9-10,15-16,18-19,22H2,1H3;2,4-5,8-10,13-14H,3,6-7,11-12H2,1H3,(H,20,21,22);2,4-5,8-10,13-14H,3,6-7,11-12,15H2,1H3,(H,20,21);1,3-4,7-8H,2,5-6,9-10H2,(H,14,15);2-4H,1H3,(H2,7,8);1-4H2;4*1H4
InChIKeyIZQIWGMRXPPYEF-UHFFFAOYSA-N
MW1436.08 g/mol
LogP22.48
Rot. Bonds16

About methane;4-methyl-N-[(1-phenylcyclohexyl)methyl]pyridin-2-amine;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)-1-phenylcyclohexane-1-carboxamide;N-(4-methyl-2-pyridinyl)-3-phenyl-N-[(1-phenylcyclohexyl)methyl]propanamide;oxolane;1-phenylcyclohexane-1-carboxylic acid

methane;4-methyl-N-[(1-phenylcyclohexyl)methyl]pyridin-2-amine;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)-1-phenylcyclohexane-1-carboxamide;N-(4-methyl-2-pyridinyl)-3-phenyl-N-[(1-phenylcyclohexyl)methyl]propanamide;oxolane;1-phenylcyclohexane-1-carboxylic acid (PubChem CID 158852533) has the molecular formula C93H126N8O5 and a molecular weight of 1436.08 g/mol. Its IUPAC name is methane;4-methyl-N-[(1-phenylcyclohexyl)methyl]pyridin-2-amine;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)-1-phenylcyclohexane-1-carboxamide;N-(4-methyl-2-pyridinyl)-3-phenyl-N-[(1-phenylcyclohexyl)methyl]propanamide;oxolane;1-phenylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namemethane;4-methyl-N-[(1-phenylcyclohexyl)methyl]pyridin-2-amine;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)-1-phenylcyclohexane-1-carboxamide;N-(4-methyl-2-pyridinyl)-3-phenyl-N-[(1-phenylcyclohexyl)methyl]propanamide;oxolane;1-phenylcyclohexane-1-carboxylic acid
PubChem CID158852533
Molecular FormulaC93H126N8O5
Molecular Weight1436.08 g/mol
Exact Mass1434.99
IUPAC Namemethane;4-methyl-N-[(1-phenylcyclohexyl)methyl]pyridin-2-amine;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)-1-phenylcyclohexane-1-carboxamide;N-(4-methyl-2-pyridinyl)-3-phenyl-N-[(1-phenylcyclohexyl)methyl]propanamide;oxolane;1-phenylcyclohexane-1-carboxylic acid
SMILESC.C.C.C.C1CCOC1.Cc1ccnc(N(CC2(c3ccccc3)CCCCC2)C(=O)CCc2ccccc2)c1.Cc1ccnc(N)c1.Cc1ccnc(NC(=O)C2(c3ccccc3)CCCCC2)c1.Cc1ccnc(NCC2(c3ccccc3)CCCCC2)c1.O=C(O)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C28H32N2O.C19H22N2O.C19H24N2.C13H16O2.C6H8N2.C4H8O.4CH4/c1-23-17-20-29-26(21-23)30(27(31)16-15-24-11-5-2-6-12-24)22-28(18-9-4-10-19-28)25-13-7-3-8-14-25;1-15-10-13-20-17(14-15)21-18(22)19(11-6-3-7-12-19)16-8-4-2-5-9-16;1-16-10-13-20-18(14-16)21-15-19(11-6-3-7-12-19)17-8-4-2-5-9-17;14-12(15)13(9-5-2-6-10-13)11-7-3-1-4-8-11;1-5-2-3-8-6(7)4-5;1-2-4-5-3-1;;;;/h2-3,5-8,11-14,17,20-21H,4,9-10,15-16,18-19,22H2,1H3;2,4-5,8-10,13-14H,3,6-7,11-12H2,1H3,(H,20,21,22);2,4-5,8-10,13-14H,3,6-7,11-12,15H2,1H3,(H,20,21);1,3-4,7-8H,2,5-6,9-10H2,(H,14,15);2-4H,1H3,(H2,7,8);1-4H2;4*1H4
InChIKeyIZQIWGMRXPPYEF-UHFFFAOYSA-N
XLogP22.48
TPSA185.55 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001436.08
LogP ≤ 522.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze methane;4-methyl-N-[(1-phenylcyclohexyl)methyl]pyridin-2-amine;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)-1-phenylcyclohexane-1-carboxamide;N-(4-methyl-2-pyridinyl)-3-phenyl-N-[(1-phenylcyclohexyl)methyl]propanamide;oxolane;1-phenylcyclohexane-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;4-methyl-N-[(1-phenylcyclohexyl)methyl]pyridin-2-amine;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)-1-phenylcyclohexane-1-carboxamide;N-(4-methyl-2-pyridinyl)-3-phenyl-N-[(1-phenylcyclohexyl)methyl]propanamide;oxolane;1-phenylcyclohexane-1-carboxylic acid?
The IUPAC name of methane;4-methyl-N-[(1-phenylcyclohexyl)methyl]pyridin-2-amine;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)-1-phenylcyclohexane-1-carboxamide;N-(4-methyl-2-pyridinyl)-3-phenyl-N-[(1-phenylcyclohexyl)methyl]propanamide;oxolane;1-phenylcyclohexane-1-carboxylic acid (CID 158852533) is methane;4-methyl-N-[(1-phenylcyclohexyl)methyl]pyridin-2-amine;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)-1-phenylcyclohexane-1-carboxamide;N-(4-methyl-2-pyridinyl)-3-phenyl-N-[(1-phenylcyclohexyl)methyl]propanamide;oxolane;1-phenylcyclohexane-1-carboxylic acid.
What is the SMILES notation for methane;4-methyl-N-[(1-phenylcyclohexyl)methyl]pyridin-2-amine;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)-1-phenylcyclohexane-1-carboxamide;N-(4-methyl-2-pyridinyl)-3-phenyl-N-[(1-phenylcyclohexyl)methyl]propanamide;oxolane;1-phenylcyclohexane-1-carboxylic acid?
The canonical SMILES for methane;4-methyl-N-[(1-phenylcyclohexyl)methyl]pyridin-2-amine;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)-1-phenylcyclohexane-1-carboxamide;N-(4-methyl-2-pyridinyl)-3-phenyl-N-[(1-phenylcyclohexyl)methyl]propanamide;oxolane;1-phenylcyclohexane-1-carboxylic acid is C.C.C.C.C1CCOC1.Cc1ccnc(N(CC2(c3ccccc3)CCCCC2)C(=O)CCc2ccccc2)c1.Cc1ccnc(N)c1.Cc1ccnc(NC(=O)C2(c3ccccc3)CCCCC2)c1.Cc1ccnc(NCC2(c3ccccc3)CCCCC2)c1.O=C(O)C1(c2ccccc2)CCCCC1.
What is the InChIKey of methane;4-methyl-N-[(1-phenylcyclohexyl)methyl]pyridin-2-amine;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)-1-phenylcyclohexane-1-carboxamide;N-(4-methyl-2-pyridinyl)-3-phenyl-N-[(1-phenylcyclohexyl)methyl]propanamide;oxolane;1-phenylcyclohexane-1-carboxylic acid?
The InChIKey is IZQIWGMRXPPYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O.C19H22N2O.C19H24N2.C13H16O2.C6H8N2.C4H8O.4CH4/c1-23-17-20-29-26(21-23)30(27(31)16-15-24-11-5-2-6-12-24)22-28(18-9-4-10-19-28)25-13-7-3-8-14-25;1-15-10-13-20-17(14-15)21-18(22)19(11-6-3-7-12-19)16-8-4-2-5-9-16;1-16-10-13-20-18(14-16)21-15-19(11-6-3-7-12-19)17-8-4-2-5-9-17;14-12(15)13(9-5-2-6-10-13)11-7-3-1-4-8-11;1-5-2-3-8-6(7)4-5;1-2-4-5-3-1;;;;/h2-3,5-8,11-14,17,20-21H,4,9-10,15-16,18-19,22H2,1H3;2,4-5,8-10,13-14H,3,6-7,11-12H2,1H3,(H,20,21,22);2,4-5,8-10,13-14H,3,6-7,11-12,15H2,1H3,(H,20,21);1,3-4,7-8H,2,5-6,9-10H2,(H,14,15);2-4H,1H3,(H2,7,8);1-4H2;4*1H4.
What are the key properties of methane;4-methyl-N-[(1-phenylcyclohexyl)methyl]pyridin-2-amine;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)-1-phenylcyclohexane-1-carboxamide;N-(4-methyl-2-pyridinyl)-3-phenyl-N-[(1-phenylcyclohexyl)methyl]propanamide;oxolane;1-phenylcyclohexane-1-carboxylic acid?
methane;4-methyl-N-[(1-phenylcyclohexyl)methyl]pyridin-2-amine;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)-1-phenylcyclohexane-1-carboxamide;N-(4-methyl-2-pyridinyl)-3-phenyl-N-[(1-phenylcyclohexyl)methyl]propanamide;oxolane;1-phenylcyclohexane-1-carboxylic acid has a molecular weight of 1436.08 g/mol, XLogP of 22.48, 16 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-methyl-N-[(1-phenylcyclohexyl)methyl]pyridin-2-amine;4-methylpyridin-2-amine;N-(4-methyl-2-pyridinyl)-1-phenylcyclohexane-1-carboxamide;N-(4-methyl-2-pyridinyl)-3-phenyl-N-[(1-phenylcyclohexyl)methyl]propanamide;oxolane;1-phenylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 158852533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).