5-(3,3-diethylpyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol

C18H38N2O — CID 106809760

IUPAC5-(3,3-diethylpyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCCC1(CC)CCN(CCCC(CC)(CO)NC(C)C)C1
InChIInChI=1S/C18H38N2O/c1-6-17(7-2)11-13-20(14-17)12-9-10-18(8-3,15-21)19-16(4)5/h16,19,21H,6-15H2,1-5H3
InChIKeyGPMRBHYJJGUHSU-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.42
Rot. Bonds10

About 5-(3,3-diethylpyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol

5-(3,3-diethylpyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 106809760) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 5-(3,3-diethylpyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(3,3-diethylpyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID106809760
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name5-(3,3-diethylpyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCCC1(CC)CCN(CCCC(CC)(CO)NC(C)C)C1
InChIInChI=1S/C18H38N2O/c1-6-17(7-2)11-13-20(14-17)12-9-10-18(8-3,15-21)19-16(4)5/h16,19,21H,6-15H2,1-5H3
InChIKeyGPMRBHYJJGUHSU-UHFFFAOYSA-N
XLogP3.42
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-5-(3,3-diethylpyrrolidin-1-yl)-2-ethylpentan-1-ol
CID 106809757
5-(4,4-diethylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentan-1-ol
CID 106808882
2-ethyl-5-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809069
2-ethyl-5-(3-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809851
2-ethyl-2-(methylamino)-5-(3,3,4-trimethylpiperazin-1-yl)pentan-1-ol
CID 106808752
2-ethyl-5-(3-ethylpiperidin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809284
4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64790896
2-ethyl-5-(3-methoxypyrrolidin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809954
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
CID 106809748
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
CID 106809903
2-ethyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol
CID 106808849
2-ethyl-5-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809193

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-diethylpyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 5-(3,3-diethylpyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol (CID 106809760) is 5-(3,3-diethylpyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 5-(3,3-diethylpyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 5-(3,3-diethylpyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol is CCC1(CC)CCN(CCCC(CC)(CO)NC(C)C)C1.
What is the InChIKey of 5-(3,3-diethylpyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is GPMRBHYJJGUHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-6-17(7-2)11-13-20(14-17)12-9-10-18(8-3,15-21)19-16(4)5/h16,19,21H,6-15H2,1-5H3.
What are the key properties of 5-(3,3-diethylpyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol?
5-(3,3-diethylpyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 298.51 g/mol, XLogP of 3.42, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-diethylpyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 106809760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).