3-(2-cyclopentylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol

C15H30N2O — CID 64826732

IUPAC3-(2-cyclopentylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)CN1CCCC1C1CCCC1
InChIInChI=1S/C15H30N2O/c1-12(2)16-14(11-18)10-17-9-5-8-15(17)13-6-3-4-7-13/h12-16,18H,3-11H2,1-2H3
InChIKeyYEGOUXSCYSSPBR-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.00
Rot. Bonds6

About 3-(2-cyclopentylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol

3-(2-cyclopentylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64826732) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-(2-cyclopentylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2-cyclopentylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol
PubChem CID64826732
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-(2-cyclopentylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)CN1CCCC1C1CCCC1
InChIInChI=1S/C15H30N2O/c1-12(2)16-14(11-18)10-17-9-5-8-15(17)13-6-3-4-7-13/h12-16,18H,3-11H2,1-2H3
InChIKeyYEGOUXSCYSSPBR-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-2-ol
CID 103934975
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(methylamino)butan-1-ol
CID 102728915
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-(methylamino)butan-1-ol
CID 65321123
1-cyclopentyl-2-(2-cyclopentylpyrrolidin-1-yl)ethanol
CID 104752736
1-(2-methylbutyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 176943757
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N,2-dimethylpropan-1-amine
CID 62432600
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methoxy-N-methylpropan-2-amine
CID 107505972
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-cyclohexylethanol
CID 102727879
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(ethylamino)butan-1-ol
CID 65321982
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propan-2-ol
CID 82749699
methyl 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylpropanoate
CID 65320590
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 102728554

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-(2-cyclopentylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol (CID 64826732) is 3-(2-cyclopentylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-(2-cyclopentylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-(2-cyclopentylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol is CC(C)NC(CO)CN1CCCC1C1CCCC1.
What is the InChIKey of 3-(2-cyclopentylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is YEGOUXSCYSSPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(2)16-14(11-18)10-17-9-5-8-15(17)13-6-3-4-7-13/h12-16,18H,3-11H2,1-2H3.
What are the key properties of 3-(2-cyclopentylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol?
3-(2-cyclopentylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64826732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).