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

C14H26N2 — CID 65322343

IUPAC1-(azepan-3-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
SMILESC1CCC(N2CCCC3CCCC32)CNC1
InChIInChI=1S/C14H26N2/c1-2-9-15-11-13(7-1)16-10-4-6-12-5-3-8-14(12)16/h12-15H,1-11H2
InChIKeyNRFXOSUVPWACRA-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.39
Rot. Bonds1

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

1-(azepan-3-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine (PubChem CID 65322343) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-(azepan-3-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine.

Molecular Properties

Compound Name1-(azepan-3-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
PubChem CID65322343
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-(azepan-3-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
SMILESC1CCC(N2CCCC3CCCC32)CNC1
InChIInChI=1S/C14H26N2/c1-2-9-15-11-13(7-1)16-10-4-6-12-5-3-8-14(12)16/h12-15H,1-11H2
InChIKeyNRFXOSUVPWACRA-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-cyclohexylpyrrolidin-2-yl)piperidine
CID 66272789
4-(1-cyclopentylpyrrolidin-2-yl)piperidine
CID 66274294
1-(azetidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750917
1-(5-methylpiperidin-3-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 113296904
2-cyclohexyl-1-cyclopentylpiperazine
CID 82936755
1-(3-methylpiperidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65320963
3-[1-(3-methoxycyclohexyl)pyrrolidin-2-yl]piperidine
CID 66274061
3-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]piperidine
CID 66272572
2,3,3a,4,4a,5,6,7,8,8a-decahydro-1H-pyrrolo[1,2-a]indole
CID 57050908
5-(2-cyclopentylpyrrolidin-1-yl)-2-methylpiperidine
CID 63155886
3-(2-piperidin-3-ylpyrrolidin-1-yl)thiolane 1,1-dioxide
CID 66272792
1-piperidin-4-yl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750918

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-3-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The IUPAC name of 1-(azepan-3-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine (CID 65322343) is 1-(azepan-3-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine.
What is the SMILES notation for 1-(azepan-3-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The canonical SMILES for 1-(azepan-3-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine is C1CCC(N2CCCC3CCCC32)CNC1.
What is the InChIKey of 1-(azepan-3-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The InChIKey is NRFXOSUVPWACRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-2-9-15-11-13(7-1)16-10-4-6-12-5-3-8-14(12)16/h12-15H,1-11H2.
What are the key properties of 1-(azepan-3-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
1-(azepan-3-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine has a molecular weight of 222.38 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-3-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine is sourced from PubChem (CID 65322343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).