4-propyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine

C16H26N2 — CID 28655963

IUPAC4-propyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine
SMILESCCCC1CCC(N[C@@H](C)c2cccnc2)CC1
InChIInChI=1S/C16H26N2/c1-3-5-14-7-9-16(10-8-14)18-13(2)15-6-4-11-17-12-15/h4,6,11-14,16,18H,3,5,7-10H2,1-2H3/t13-,14?,16?/m0/s1
InChIKeyXCHNLHBXHUCBJR-HLIUYOAVSA-N
MW246.40 g/mol
LogP4.09
Rot. Bonds5

About 4-propyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine

4-propyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine (PubChem CID 28655963) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-propyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-propyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine
PubChem CID28655963
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-propyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine
SMILESCCCC1CCC(N[C@@H](C)c2cccnc2)CC1
InChIInChI=1S/C16H26N2/c1-3-5-14-7-9-16(10-8-14)18-13(2)15-6-4-11-17-12-15/h4,6,11-14,16,18H,3,5,7-10H2,1-2H3/t13-,14?,16?/m0/s1
InChIKeyXCHNLHBXHUCBJR-HLIUYOAVSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-propyl-N-(1-pyridin-3-ylethyl)cycloheptan-1-amine
CID 65087116
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
4-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cycloheptan-1-amine
CID 81407640
N-(1-pyridin-3-ylethyl)cyclododecanamine
CID 43079395
N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine
CID 28646604
3-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1,3-diamine
CID 81406551
4-propyl-N-(1-pyridin-4-ylethyl)cycloheptan-1-amine
CID 65087218
N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-propylcyclohexan-1-amine
CID 81375811
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-propylcyclohexan-1-amine
CID 103778764
N-[(1R)-1-pyridin-3-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81407407
N-[(1S)-1-pyridin-3-ylethyl]azetidin-3-amine
CID 81406806
N-[(4-propylcyclohexyl)-pyridin-3-ylmethyl]propan-1-amine
CID 65425134

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine?
The IUPAC name of 4-propyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine (CID 28655963) is 4-propyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-propyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine?
The canonical SMILES for 4-propyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine is CCCC1CCC(N[C@@H](C)c2cccnc2)CC1.
What is the InChIKey of 4-propyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine?
The InChIKey is XCHNLHBXHUCBJR-HLIUYOAVSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-5-14-7-9-16(10-8-14)18-13(2)15-6-4-11-17-12-15/h4,6,11-14,16,18H,3,5,7-10H2,1-2H3/t13-,14?,16?/m0/s1.
What are the key properties of 4-propyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine?
4-propyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine is sourced from PubChem (CID 28655963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).