2-methyl-N-[(1-pyridin-3-ylcyclohexyl)methyl]propan-1-amine

C16H26N2 — CID 80522632

IUPAC2-methyl-N-[(1-pyridin-3-ylcyclohexyl)methyl]propan-1-amine
SMILESCC(C)CNCC1(c2cccnc2)CCCCC1
InChIInChI=1S/C16H26N2/c1-14(2)11-18-13-16(8-4-3-5-9-16)15-7-6-10-17-12-15/h6-7,10,12,14,18H,3-5,8-9,11,13H2,1-2H3
InChIKeyQFRVAKAKPYWJOH-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.53
Rot. Bonds5

About 2-methyl-N-[(1-pyridin-3-ylcyclohexyl)methyl]propan-1-amine

2-methyl-N-[(1-pyridin-3-ylcyclohexyl)methyl]propan-1-amine (PubChem CID 80522632) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-methyl-N-[(1-pyridin-3-ylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-pyridin-3-ylcyclohexyl)methyl]propan-1-amine
PubChem CID80522632
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-methyl-N-[(1-pyridin-3-ylcyclohexyl)methyl]propan-1-amine
SMILESCC(C)CNCC1(c2cccnc2)CCCCC1
InChIInChI=1S/C16H26N2/c1-14(2)11-18-13-16(8-4-3-5-9-16)15-7-6-10-17-12-15/h6-7,10,12,14,18H,3-5,8-9,11,13H2,1-2H3
InChIKeyQFRVAKAKPYWJOH-UHFFFAOYSA-N
XLogP3.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(3-methyl-1-pyridin-3-ylcyclobutyl)methyl]propan-1-amine
CID 80522198
N-methyl-1-(1-pyridin-3-ylcyclobutyl)methanamine
CID 80522291
2-methyl-N-[[1-(4-propan-2-ylphenyl)cyclohexyl]methyl]propan-1-amine
CID 63509928
2-methyl-N-[(2-pyridin-4-ylspiro[3.5]nonan-2-yl)methyl]propan-1-amine
CID 80523825
N-[(2-pyridin-3-ylspiro[3.3]heptan-2-yl)methyl]ethanamine
CID 80522715
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 62596044
2-(1-pyridin-3-ylcyclohexyl)ethanamine
CID 83819763
2-methyl-N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-1-amine
CID 63516825
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-pyridin-3-ylcyclopentyl)methyl]urea
CID 14977528
N-[[1-(4-tert-butylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 63509925
2-methyl-N-[(2-methyl-2-pyridin-3-ylcyclopropyl)methyl]propan-1-amine
CID 62714424
N-[(3-ethyl-1-pyridin-3-ylcyclobutyl)methyl]propan-2-amine
CID 80522808

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-pyridin-3-ylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(1-pyridin-3-ylcyclohexyl)methyl]propan-1-amine (CID 80522632) is 2-methyl-N-[(1-pyridin-3-ylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(1-pyridin-3-ylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(1-pyridin-3-ylcyclohexyl)methyl]propan-1-amine is CC(C)CNCC1(c2cccnc2)CCCCC1.
What is the InChIKey of 2-methyl-N-[(1-pyridin-3-ylcyclohexyl)methyl]propan-1-amine?
The InChIKey is QFRVAKAKPYWJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14(2)11-18-13-16(8-4-3-5-9-16)15-7-6-10-17-12-15/h6-7,10,12,14,18H,3-5,8-9,11,13H2,1-2H3.
What are the key properties of 2-methyl-N-[(1-pyridin-3-ylcyclohexyl)methyl]propan-1-amine?
2-methyl-N-[(1-pyridin-3-ylcyclohexyl)methyl]propan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-pyridin-3-ylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 80522632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).