4-propyl-N-(1-pyridin-3-ylethyl)cycloheptan-1-amine

C17H28N2 — CID 65087116

IUPAC4-propyl-N-(1-pyridin-3-ylethyl)cycloheptan-1-amine
SMILESCCCC1CCCC(NC(C)c2cccnc2)CC1
InChIInChI=1S/C17H28N2/c1-3-6-15-7-4-9-17(11-10-15)19-14(2)16-8-5-12-18-13-16/h5,8,12-15,17,19H,3-4,6-7,9-11H2,1-2H3
InChIKeyLBONHSFQFRDYJH-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.48
Rot. Bonds5

About 4-propyl-N-(1-pyridin-3-ylethyl)cycloheptan-1-amine

4-propyl-N-(1-pyridin-3-ylethyl)cycloheptan-1-amine (PubChem CID 65087116) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-propyl-N-(1-pyridin-3-ylethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-propyl-N-(1-pyridin-3-ylethyl)cycloheptan-1-amine
PubChem CID65087116
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-propyl-N-(1-pyridin-3-ylethyl)cycloheptan-1-amine
SMILESCCCC1CCCC(NC(C)c2cccnc2)CC1
InChIInChI=1S/C17H28N2/c1-3-6-15-7-4-9-17(11-10-15)19-14(2)16-8-5-12-18-13-16/h5,8,12-15,17,19H,3-4,6-7,9-11H2,1-2H3
InChIKeyLBONHSFQFRDYJH-UHFFFAOYSA-N
XLogP4.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-propyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine
CID 28655963
4-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cycloheptan-1-amine
CID 81407640
4-propyl-N-(1-pyridin-4-ylethyl)cycloheptan-1-amine
CID 65087218
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
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-propylcycloheptan-1-amine
CID 81365897
N-(2-methyl-1-phenylpropyl)-4-propylcycloheptan-1-amine
CID 65086617
2-ethyl-N-[(1R)-1-pyridin-3-ylethyl]cyclopentan-1-amine
CID 104865522
N-[1-(2,6-difluorophenyl)ethyl]-4-propylcycloheptan-1-amine
CID 65091642
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

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-(1-pyridin-3-ylethyl)cycloheptan-1-amine?
The IUPAC name of 4-propyl-N-(1-pyridin-3-ylethyl)cycloheptan-1-amine (CID 65087116) is 4-propyl-N-(1-pyridin-3-ylethyl)cycloheptan-1-amine.
What is the SMILES notation for 4-propyl-N-(1-pyridin-3-ylethyl)cycloheptan-1-amine?
The canonical SMILES for 4-propyl-N-(1-pyridin-3-ylethyl)cycloheptan-1-amine is CCCC1CCCC(NC(C)c2cccnc2)CC1.
What is the InChIKey of 4-propyl-N-(1-pyridin-3-ylethyl)cycloheptan-1-amine?
The InChIKey is LBONHSFQFRDYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-6-15-7-4-9-17(11-10-15)19-14(2)16-8-5-12-18-13-16/h5,8,12-15,17,19H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of 4-propyl-N-(1-pyridin-3-ylethyl)cycloheptan-1-amine?
4-propyl-N-(1-pyridin-3-ylethyl)cycloheptan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-(1-pyridin-3-ylethyl)cycloheptan-1-amine is sourced from PubChem (CID 65087116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).