3-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1,3-diamine

C12H19N3 — CID 81406551

IUPAC3-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1,3-diamine
SMILESC[C@H](NC1CCC(N)C1)c1cccnc1
InChIInChI=1S/C12H19N3/c1-9(10-3-2-6-14-8-10)15-12-5-4-11(13)7-12/h2-3,6,8-9,11-12,15H,4-5,7,13H2,1H3/t9-,11?,12?/m0/s1
InChIKeyBILQEUCTLHOGDN-GCVQQVDUSA-N
MW205.31 g/mol
LogP1.61
Rot. Bonds3

About 3-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1,3-diamine

3-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1,3-diamine (PubChem CID 81406551) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 3-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1,3-diamine
PubChem CID81406551
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name3-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1,3-diamine
SMILESC[C@H](NC1CCC(N)C1)c1cccnc1
InChIInChI=1S/C12H19N3/c1-9(10-3-2-6-14-8-10)15-12-5-4-11(13)7-12/h2-3,6,8-9,11-12,15H,4-5,7,13H2,1H3/t9-,11?,12?/m0/s1
InChIKeyBILQEUCTLHOGDN-GCVQQVDUSA-N
XLogP1.61
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
N-[(1R)-1-pyridin-3-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81407407
N-(1-pyridin-3-ylethyl)cyclododecanamine
CID 43079395
N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine
CID 28646604
4-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cycloheptan-1-amine
CID 81407640
4-propyl-N-[(1S)-1-pyridin-3-ylethyl]cyclohexan-1-amine
CID 28655963
N-[(1S)-1-pyridin-3-ylethyl]azetidin-3-amine
CID 81406806
1-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]piperidin-4-amine
CID 28716728
1,1-dioxo-N-[(1R)-1-pyridin-3-ylethyl]thian-4-amine
CID 81404409
1,1-dioxo-N-[(1S)-1-pyridin-3-ylethyl]thian-4-amine
CID 81406804
3-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119863798
N-(1-pyridin-3-ylethyl)pyrrolidin-3-amine
CID 79724749

Frequently Asked Questions

What is the IUPAC name of 3-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1,3-diamine?
The IUPAC name of 3-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1,3-diamine (CID 81406551) is 3-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1,3-diamine is C[C@H](NC1CCC(N)C1)c1cccnc1.
What is the InChIKey of 3-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1,3-diamine?
The InChIKey is BILQEUCTLHOGDN-GCVQQVDUSA-N. The full InChI is InChI=1S/C12H19N3/c1-9(10-3-2-6-14-8-10)15-12-5-4-11(13)7-12/h2-3,6,8-9,11-12,15H,4-5,7,13H2,1H3/t9-,11?,12?/m0/s1.
What are the key properties of 3-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1,3-diamine?
3-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1,3-diamine has a molecular weight of 205.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1,3-diamine is sourced from PubChem (CID 81406551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).