[1-[(6-methoxy-2-pyridinyl)methyl]-3-methylcyclohexyl]methanamine

C15H24N2O — CID 114277555

IUPAC[1-[(6-methoxy-2-pyridinyl)methyl]-3-methylcyclohexyl]methanamine
SMILESCOc1cccc(CC2(CN)CCCC(C)C2)n1
InChIInChI=1S/C15H24N2O/c1-12-5-4-8-15(9-12,11-16)10-13-6-3-7-14(17-13)18-2/h3,6-7,12H,4-5,8-11,16H2,1-2H3
InChIKeyBBUYRHDCCDEJLV-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.79
Rot. Bonds4

About [1-[(6-methoxy-2-pyridinyl)methyl]-3-methylcyclohexyl]methanamine

[1-[(6-methoxy-2-pyridinyl)methyl]-3-methylcyclohexyl]methanamine (PubChem CID 114277555) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [1-[(6-methoxy-2-pyridinyl)methyl]-3-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(6-methoxy-2-pyridinyl)methyl]-3-methylcyclohexyl]methanamine
PubChem CID114277555
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[1-[(6-methoxy-2-pyridinyl)methyl]-3-methylcyclohexyl]methanamine
SMILESCOc1cccc(CC2(CN)CCCC(C)C2)n1
InChIInChI=1S/C15H24N2O/c1-12-5-4-8-15(9-12,11-16)10-13-6-3-7-14(17-13)18-2/h3,6-7,12H,4-5,8-11,16H2,1-2H3
InChIKeyBBUYRHDCCDEJLV-UHFFFAOYSA-N
XLogP2.79
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-methoxyphenyl)methyl]-3-methylcyclohexyl]methanamine
CID 65393215
[1-(aminomethyl)-3-methylcyclohexyl]-(6-methoxy-2-pyridinyl)methanol
CID 103348712
[1-[(6-methoxy-2-pyridinyl)amino]-3-methylcyclohexyl]methanol
CID 63589171
[1-[(2-bromophenyl)methyl]-3-methylcyclohexyl]methanamine
CID 65394458
N-[[1-(aminomethyl)cyclopentyl]methyl]-6-methoxypyridin-2-amine
CID 115366027
[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine
CID 65393632
[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentyl]methanamine
CID 82871482
[1-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methylcyclohexyl]methanol
CID 115320724
N-[(1-ethylcyclopropyl)methyl]-1-(6-methoxy-2-pyridinyl)methanamine
CID 103527465
N-[(6-methoxy-2-pyridinyl)methyl]-2,3-dimethyloxolan-3-amine
CID 103527662
(1-methoxy-3-methylcyclohexyl)methanamine
CID 15495984
2-[(6-methoxy-2-pyridinyl)methyl]cycloheptan-1-ol
CID 79423934

Frequently Asked Questions

What is the IUPAC name of [1-[(6-methoxy-2-pyridinyl)methyl]-3-methylcyclohexyl]methanamine?
The IUPAC name of [1-[(6-methoxy-2-pyridinyl)methyl]-3-methylcyclohexyl]methanamine (CID 114277555) is [1-[(6-methoxy-2-pyridinyl)methyl]-3-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-[(6-methoxy-2-pyridinyl)methyl]-3-methylcyclohexyl]methanamine?
The canonical SMILES for [1-[(6-methoxy-2-pyridinyl)methyl]-3-methylcyclohexyl]methanamine is COc1cccc(CC2(CN)CCCC(C)C2)n1.
What is the InChIKey of [1-[(6-methoxy-2-pyridinyl)methyl]-3-methylcyclohexyl]methanamine?
The InChIKey is BBUYRHDCCDEJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-5-4-8-15(9-12,11-16)10-13-6-3-7-14(17-13)18-2/h3,6-7,12H,4-5,8-11,16H2,1-2H3.
What are the key properties of [1-[(6-methoxy-2-pyridinyl)methyl]-3-methylcyclohexyl]methanamine?
[1-[(6-methoxy-2-pyridinyl)methyl]-3-methylcyclohexyl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-methoxy-2-pyridinyl)methyl]-3-methylcyclohexyl]methanamine is sourced from PubChem (CID 114277555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).