1-(aminomethyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine

C17H29N3O — CID 62006915

IUPAC1-(aminomethyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine
SMILESCOc1c(C)cnc(CN(C)C2(CN)CCCCC2)c1C
InChIInChI=1S/C17H29N3O/c1-13-10-19-15(14(2)16(13)21-4)11-20(3)17(12-18)8-6-5-7-9-17/h10H,5-9,11-12,18H2,1-4H3
InChIKeyGYUFXDOGIQGTOJ-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.80
Rot. Bonds5

About 1-(aminomethyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine

1-(aminomethyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 62006915) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine
PubChem CID62006915
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-(aminomethyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine
SMILESCOc1c(C)cnc(CN(C)C2(CN)CCCCC2)c1C
InChIInChI=1S/C17H29N3O/c1-13-10-19-15(14(2)16(13)21-4)11-20(3)17(12-18)8-6-5-7-9-17/h10H,5-9,11-12,18H2,1-4H3
InChIKeyGYUFXDOGIQGTOJ-UHFFFAOYSA-N
XLogP2.80
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine (CID 62006915) is 1-(aminomethyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine is COc1c(C)cnc(CN(C)C2(CN)CCCCC2)c1C.
What is the InChIKey of 1-(aminomethyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is GYUFXDOGIQGTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13-10-19-15(14(2)16(13)21-4)11-20(3)17(12-18)8-6-5-7-9-17/h10H,5-9,11-12,18H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine?
1-(aminomethyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 62006915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).