1-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpentan-2-ol

C17H28N2O — CID 103709849

IUPAC1-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-3-10-17(2,20)14-18-16-9-11-19(13-16)12-15-7-5-4-6-8-15/h4-8,16,18,20H,3,9-14H2,1-2H3
InChIKeyXPBVINVGWFNXRY-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.40
Rot. Bonds7

About 1-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpentan-2-ol

1-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpentan-2-ol (PubChem CID 103709849) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpentan-2-ol
PubChem CID103709849
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-3-10-17(2,20)14-18-16-9-11-19(13-16)12-15-7-5-4-6-8-15/h4-8,16,18,20H,3,9-14H2,1-2H3
InChIKeyXPBVINVGWFNXRY-UHFFFAOYSA-N
XLogP2.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-benzylpyrrolidin-3-yl)-2-methylpentanamide
CID 60847713
2-[[(1-benzylpiperidin-3-yl)amino]methyl]-2-methylbutan-1-ol
CID 81399779
2-[(1-benzylpyrrolidin-3-yl)amino]-N-tert-butylacetamide
CID 78913239
1-benzyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 55025121
2-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpropan-1-ol
CID 45283387
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine
CID 43223634
1-benzyl-N-(2-cyclobutylethyl)pyrrolidin-3-amine
CID 115690185
N-(1-benzylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 43089230
1-benzyl-N-(2-cyclopropylpropyl)pyrrolidin-3-amine
CID 115662847
2-methyl-1-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-2-ol
CID 63239768
1-benzyl-N-(2-methylsulfanylethyl)pyrrolidin-3-amine
CID 60694335

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpentan-2-ol (CID 103709849) is 1-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpentan-2-ol is CCCC(C)(O)CNC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpentan-2-ol?
The InChIKey is XPBVINVGWFNXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-10-17(2,20)14-18-16-9-11-19(13-16)12-15-7-5-4-6-8-15/h4-8,16,18,20H,3,9-14H2,1-2H3.
What are the key properties of 1-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpentan-2-ol?
1-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpentan-2-ol has a molecular weight of 276.42 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpentan-2-ol is sourced from PubChem (CID 103709849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).