4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(cyclopropylamino)butan-1-ol

C15H28N2O — CID 65322509

IUPAC4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(cyclopropylamino)butan-1-ol
SMILESOCC(CCN1CCCC2CCCC21)NC1CC1
InChIInChI=1S/C15H28N2O/c18-11-14(16-13-6-7-13)8-10-17-9-2-4-12-3-1-5-15(12)17/h12-16,18H,1-11H2
InChIKeyJMTQTSMMBIHKNT-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.75
Rot. Bonds6

About 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(cyclopropylamino)butan-1-ol

4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(cyclopropylamino)butan-1-ol (PubChem CID 65322509) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(cyclopropylamino)butan-1-ol.

Molecular Properties

Compound Name4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(cyclopropylamino)butan-1-ol
PubChem CID65322509
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(cyclopropylamino)butan-1-ol
SMILESOCC(CCN1CCCC2CCCC21)NC1CC1
InChIInChI=1S/C15H28N2O/c18-11-14(16-13-6-7-13)8-10-17-9-2-4-12-3-1-5-15(12)17/h12-16,18H,1-11H2
InChIKeyJMTQTSMMBIHKNT-UHFFFAOYSA-N
XLogP1.75
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(cyclopropylamino)butan-1-ol with MolForge

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Related Compounds

4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(ethylamino)butan-1-ol
CID 65321982
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(methylamino)butan-1-ol
CID 102728915
2-(cyclopropylamino)-4-(2,3-dimethylpiperidin-1-yl)butan-1-ol
CID 64786433
2-(cyclopropylamino)-4-(2-ethylpyrrolidin-1-yl)butan-1-ol
CID 64790972
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propan-1-ol
CID 65319985
2-(cyclopropylamino)-4-(3-methylmorpholin-4-yl)butan-1-ol
CID 64795516
2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114597525
3-(2-cyclopentylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol
CID 64826732
2-(cyclopropylamino)-4-(5-ethyl-2-methylpiperidin-1-yl)butan-1-ol
CID 112734610
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-(methylamino)butan-1-ol
CID 65321123
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]butan-2-amine
CID 102725969
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4-dimethylpentan-3-ol
CID 62623035

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(cyclopropylamino)butan-1-ol?
The IUPAC name of 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(cyclopropylamino)butan-1-ol (CID 65322509) is 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(cyclopropylamino)butan-1-ol.
What is the SMILES notation for 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(cyclopropylamino)butan-1-ol?
The canonical SMILES for 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(cyclopropylamino)butan-1-ol is OCC(CCN1CCCC2CCCC21)NC1CC1.
What is the InChIKey of 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(cyclopropylamino)butan-1-ol?
The InChIKey is JMTQTSMMBIHKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c18-11-14(16-13-6-7-13)8-10-17-9-2-4-12-3-1-5-15(12)17/h12-16,18H,1-11H2.
What are the key properties of 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(cyclopropylamino)butan-1-ol?
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(cyclopropylamino)butan-1-ol has a molecular weight of 252.40 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(cyclopropylamino)butan-1-ol is sourced from PubChem (CID 65322509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).