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

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

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Related Compounds

1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-ol
CID 65142759
3-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-N-methylbutane-1,3-diamine
CID 63225867
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1-carbonitrile
CID 65376799
N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 54991612
N'-cyclobutyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 102875144
[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thiolan-2-yl]methanamine
CID 83173757
N'-cyclopropyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 61350906
1-(1-methoxycyclopentyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 104610582
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine
CID 103969062
1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62724590
1-(aminomethyl)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine
CID 63481511
1-[1-hydroxy-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethyl]cyclopentan-1-ol
CID 103448486

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).