1-cycloheptyl-N-methyl-3-pyridin-3-ylpropan-1-amine

C16H26N2 — CID 105176320

IUPAC1-cycloheptyl-N-methyl-3-pyridin-3-ylpropan-1-amine
SMILESCNC(CCc1cccnc1)C1CCCCCC1
InChIInChI=1S/C16H26N2/c1-17-16(15-8-4-2-3-5-9-15)11-10-14-7-6-12-18-13-14/h6-7,12-13,15-17H,2-5,8-11H2,1H3
InChIKeyVTHJDRZTYRBGOD-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.57
Rot. Bonds5

About 1-cycloheptyl-N-methyl-3-pyridin-3-ylpropan-1-amine

1-cycloheptyl-N-methyl-3-pyridin-3-ylpropan-1-amine (PubChem CID 105176320) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-cycloheptyl-N-methyl-3-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-cycloheptyl-N-methyl-3-pyridin-3-ylpropan-1-amine
PubChem CID105176320
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-cycloheptyl-N-methyl-3-pyridin-3-ylpropan-1-amine
SMILESCNC(CCc1cccnc1)C1CCCCCC1
InChIInChI=1S/C16H26N2/c1-17-16(15-8-4-2-3-5-9-15)11-10-14-7-6-12-18-13-14/h6-7,12-13,15-17H,2-5,8-11H2,1H3
InChIKeyVTHJDRZTYRBGOD-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-cyclohexyl-4-pyridin-3-ylbutan-2-yl)hydrazine
CID 105296236
N-ethyl-1-(4-ethylcyclohexyl)-3-pyridin-3-ylpropan-1-amine
CID 105155347
1-cyclohexyl-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62603236
1-cyclohexyl-N-propyl-4-pyridin-3-ylbutan-2-amine
CID 105135868
1-cyclopentyl-4-pyridin-3-ylbutan-2-amine
CID 105139079
(1R)-1-cyclohexyl-N-(pyridin-3-ylmethyl)ethanamine
CID 81384480
1-cyclohexyl-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 65445325
N-methyl-1-(2-methylcyclopentyl)-2-pyridin-3-ylethanamine
CID 107190771
1-cyclohexyl-N-methyl-1-pyridin-3-ylmethanamine
CID 60817955
3-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-methylpropan-1-amine
CID 104800108
N-methyl-2-pyridin-3-yl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
CID 105180006
N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-3-yl]ethanamine
CID 55256845

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-methyl-3-pyridin-3-ylpropan-1-amine?
The IUPAC name of 1-cycloheptyl-N-methyl-3-pyridin-3-ylpropan-1-amine (CID 105176320) is 1-cycloheptyl-N-methyl-3-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for 1-cycloheptyl-N-methyl-3-pyridin-3-ylpropan-1-amine?
The canonical SMILES for 1-cycloheptyl-N-methyl-3-pyridin-3-ylpropan-1-amine is CNC(CCc1cccnc1)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-N-methyl-3-pyridin-3-ylpropan-1-amine?
The InChIKey is VTHJDRZTYRBGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-17-16(15-8-4-2-3-5-9-15)11-10-14-7-6-12-18-13-14/h6-7,12-13,15-17H,2-5,8-11H2,1H3.
What are the key properties of 1-cycloheptyl-N-methyl-3-pyridin-3-ylpropan-1-amine?
1-cycloheptyl-N-methyl-3-pyridin-3-ylpropan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-methyl-3-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 105176320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).