4-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cycloheptan-1-amine

C16H26N2 — CID 81407640

IUPAC4-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cycloheptan-1-amine
SMILESCCC1CCCC(N[C@@H](C)c2cccnc2)CC1
InChIInChI=1S/C16H26N2/c1-3-14-6-4-8-16(10-9-14)18-13(2)15-7-5-11-17-12-15/h5,7,11-14,16,18H,3-4,6,8-10H2,1-2H3/t13-,14?,16?/m0/s1
InChIKeyKFMCAYIIMVTXTB-HLIUYOAVSA-N
MW246.40 g/mol
LogP4.09
Rot. Bonds4

About 4-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cycloheptan-1-amine

4-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cycloheptan-1-amine (PubChem CID 81407640) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cycloheptan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cycloheptan-1-amine
PubChem CID81407640
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cycloheptan-1-amine
SMILESCCC1CCCC(N[C@@H](C)c2cccnc2)CC1
InChIInChI=1S/C16H26N2/c1-3-14-6-4-8-16(10-9-14)18-13(2)15-7-5-11-17-12-15/h5,7,11-14,16,18H,3-4,6,8-10H2,1-2H3/t13-,14?,16?/m0/s1
InChIKeyKFMCAYIIMVTXTB-HLIUYOAVSA-N
XLogP4.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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
N-(1-pyridin-3-ylethyl)cyclododecanamine
CID 43079395
N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine
CID 28646604
4-propyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine
CID 28655963
N-[(1R)-1-pyridin-3-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81407407
3-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1,3-diamine
CID 81406551
2-ethyl-N-[(1R)-1-pyridin-3-ylethyl]cyclopentan-1-amine
CID 104865522
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 81365963
2-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine
CID 81407298
4-ethyl-N-(2-methyl-1-phenylpropyl)cycloheptan-1-amine
CID 65083894
N-(1-pyridin-3-ylethyl)spiro[4.5]decan-8-amine
CID 114817153

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cycloheptan-1-amine?
The IUPAC name of 4-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cycloheptan-1-amine (CID 81407640) is 4-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cycloheptan-1-amine.
What is the SMILES notation for 4-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cycloheptan-1-amine?
The canonical SMILES for 4-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cycloheptan-1-amine is CCC1CCCC(N[C@@H](C)c2cccnc2)CC1.
What is the InChIKey of 4-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cycloheptan-1-amine?
The InChIKey is KFMCAYIIMVTXTB-HLIUYOAVSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-14-6-4-8-16(10-9-14)18-13(2)15-7-5-11-17-12-15/h5,7,11-14,16,18H,3-4,6,8-10H2,1-2H3/t13-,14?,16?/m0/s1.
What are the key properties of 4-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cycloheptan-1-amine?
4-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cycloheptan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cycloheptan-1-amine is sourced from PubChem (CID 81407640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).