3-[(1-methoxy-4,4-dimethylcyclohexyl)-(methylamino)methyl]pyridin-2-amine

C16H27N3O — CID 116769486

IUPAC3-[(1-methoxy-4,4-dimethylcyclohexyl)-(methylamino)methyl]pyridin-2-amine
SMILESCNC(c1cccnc1N)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C16H27N3O/c1-15(2)7-9-16(20-4,10-8-15)13(18-3)12-6-5-11-19-14(12)17/h5-6,11,13,18H,7-10H2,1-4H3,(H2,17,19)
InChIKeyJFFLDXDUSAKPIK-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.91
Rot. Bonds4

About 3-[(1-methoxy-4,4-dimethylcyclohexyl)-(methylamino)methyl]pyridin-2-amine

3-[(1-methoxy-4,4-dimethylcyclohexyl)-(methylamino)methyl]pyridin-2-amine (PubChem CID 116769486) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[(1-methoxy-4,4-dimethylcyclohexyl)-(methylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(1-methoxy-4,4-dimethylcyclohexyl)-(methylamino)methyl]pyridin-2-amine
PubChem CID116769486
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-[(1-methoxy-4,4-dimethylcyclohexyl)-(methylamino)methyl]pyridin-2-amine
SMILESCNC(c1cccnc1N)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C16H27N3O/c1-15(2)7-9-16(20-4,10-8-15)13(18-3)12-6-5-11-19-14(12)17/h5-6,11,13,18H,7-10H2,1-4H3,(H2,17,19)
InChIKeyJFFLDXDUSAKPIK-UHFFFAOYSA-N
XLogP2.91
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(1-methoxy-4,4-dimethylcyclohexyl)-(methylamino)methyl]pyridin-2-amine with MolForge

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Related Compounds

3-[hydrazinyl-(1-methylcyclopropyl)methyl]pyridin-2-amine
CID 105253393
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-pyridin-2-ylethanamine
CID 116769249
1-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine
CID 116769457
3-[[1-(diethylamino)cyclopentyl]-(methylamino)methyl]pyridin-2-amine
CID 79070427
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114689347
3-[amino-(1-methoxy-4,4-dimethylcyclohexyl)methyl]-4-methylpyridin-2-amine
CID 116768939
1-isoquinolin-8-yl-1-(1-methoxycyclopentyl)-N-methylmethanamine
CID 103143775
N-[(2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116769648
1-(1-methoxy-4-methylcyclohexyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 116766472
(2-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
CID 116769102
1-(4-chloro-1-methylpyrazol-5-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine
CID 114662031
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-pyridin-4-ylethanamine
CID 116769287

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methoxy-4,4-dimethylcyclohexyl)-(methylamino)methyl]pyridin-2-amine?
The IUPAC name of 3-[(1-methoxy-4,4-dimethylcyclohexyl)-(methylamino)methyl]pyridin-2-amine (CID 116769486) is 3-[(1-methoxy-4,4-dimethylcyclohexyl)-(methylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[(1-methoxy-4,4-dimethylcyclohexyl)-(methylamino)methyl]pyridin-2-amine?
The canonical SMILES for 3-[(1-methoxy-4,4-dimethylcyclohexyl)-(methylamino)methyl]pyridin-2-amine is CNC(c1cccnc1N)C1(OC)CCC(C)(C)CC1.
What is the InChIKey of 3-[(1-methoxy-4,4-dimethylcyclohexyl)-(methylamino)methyl]pyridin-2-amine?
The InChIKey is JFFLDXDUSAKPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-15(2)7-9-16(20-4,10-8-15)13(18-3)12-6-5-11-19-14(12)17/h5-6,11,13,18H,7-10H2,1-4H3,(H2,17,19).
What are the key properties of 3-[(1-methoxy-4,4-dimethylcyclohexyl)-(methylamino)methyl]pyridin-2-amine?
3-[(1-methoxy-4,4-dimethylcyclohexyl)-(methylamino)methyl]pyridin-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methoxy-4,4-dimethylcyclohexyl)-(methylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 116769486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).