3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile

C17H29N3 — CID 79639789

IUPAC3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCC(C)NC1(C#N)CCC(N2CCCC3CCCC32)C1
InChIInChI=1S/C17H29N3/c1-13(2)19-17(12-18)9-8-15(11-17)20-10-4-6-14-5-3-7-16(14)20/h13-16,19H,3-11H2,1-2H3
InChIKeyAEASAMFJTLAOGJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.06
Rot. Bonds3

About 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile

3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (PubChem CID 79639789) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
PubChem CID79639789
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCC(C)NC1(C#N)CCC(N2CCCC3CCCC32)C1
InChIInChI=1S/C17H29N3/c1-13(2)19-17(12-18)9-8-15(11-17)20-10-4-6-14-5-3-7-16(14)20/h13-16,19H,3-11H2,1-2H3
InChIKeyAEASAMFJTLAOGJ-UHFFFAOYSA-N
XLogP3.06
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 102727930
3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639998
3-(2-cyclopentylpyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile
CID 79625200
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(ethylamino)cyclohexane-1-carbonitrile
CID 102727945
1-(propan-2-ylamino)-3-(4-propan-2-ylazepan-1-yl)cyclopentane-1-carbonitrile
CID 79638672
3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639233
1-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile
CID 79639775
3-[4-(methoxymethyl)piperidin-1-yl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639786
3-[3-(diethylamino)pyrrolidin-1-yl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79638520
1-(propan-2-ylamino)-3-pyrazol-1-ylcyclopentane-1-carbonitrile
CID 79638591
[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclopentyl]methanol
CID 79656071
3-methoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639311

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (CID 79639789) is 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile is CC(C)NC1(C#N)CCC(N2CCCC3CCCC32)C1.
What is the InChIKey of 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The InChIKey is AEASAMFJTLAOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-13(2)19-17(12-18)9-8-15(11-17)20-10-4-6-14-5-3-7-16(14)20/h13-16,19H,3-11H2,1-2H3.
What are the key properties of 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile has a molecular weight of 275.44 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79639789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).