1-[2-(azetidin-3-yl)propyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine

C14H26N2 — CID 116680176

IUPAC1-[2-(azetidin-3-yl)propyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
SMILESCC(CN1CCCC2CCCC21)C1CNC1
InChIInChI=1S/C14H26N2/c1-11(13-8-15-9-13)10-16-7-3-5-12-4-2-6-14(12)16/h11-15H,2-10H2,1H3
InChIKeyBNFATFUHNZXMGI-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.11
Rot. Bonds3

About 1-[2-(azetidin-3-yl)propyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine

1-[2-(azetidin-3-yl)propyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine (PubChem CID 116680176) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-[2-(azetidin-3-yl)propyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine.

Molecular Properties

Compound Name1-[2-(azetidin-3-yl)propyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
PubChem CID116680176
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-[2-(azetidin-3-yl)propyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
SMILESCC(CN1CCCC2CCCC21)C1CNC1
InChIInChI=1S/C14H26N2/c1-11(13-8-15-9-13)10-16-7-3-5-12-4-2-6-14(12)16/h11-15H,2-10H2,1H3
InChIKeyBNFATFUHNZXMGI-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(azetidin-3-yl)propyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine with MolForge

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Related Compounds

octahydro-1H-cyclopenta(b)pyridine hydrochloride
CID 2831833
1-methyl-octahydro-1H-cyclopenta(b)pyridin-4-amine
CID 82416483
4-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 55286323
3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 55288341
(3R,4aS,7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine
CID 59131933
3-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine
CID 68019178
2-Methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-amine
CID 68107841
(4aS,7aR)-2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-amine
CID 68107843
1-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-6-amine
CID 68151709
(6R,7aR)-2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-amine
CID 68176973
(6S)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-6-amine
CID 68242310
(6S)-2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-amine
CID 68242321

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-yl)propyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The IUPAC name of 1-[2-(azetidin-3-yl)propyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine (CID 116680176) is 1-[2-(azetidin-3-yl)propyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine.
What is the SMILES notation for 1-[2-(azetidin-3-yl)propyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The canonical SMILES for 1-[2-(azetidin-3-yl)propyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine is CC(CN1CCCC2CCCC21)C1CNC1.
What is the InChIKey of 1-[2-(azetidin-3-yl)propyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The InChIKey is BNFATFUHNZXMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-11(13-8-15-9-13)10-16-7-3-5-12-4-2-6-14(12)16/h11-15H,2-10H2,1H3.
What are the key properties of 1-[2-(azetidin-3-yl)propyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
1-[2-(azetidin-3-yl)propyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine has a molecular weight of 222.38 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-yl)propyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine is sourced from PubChem (CID 116680176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).