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

C15H24N2O — CID 45283387

IUPAC2-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C15H24N2O/c1-15(2,12-18)16-14-8-9-17(11-14)10-13-6-4-3-5-7-13/h3-7,14,16,18H,8-12H2,1-2H3
InChIKeyFZVXZUKTQNFJFZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.62
Rot. Bonds5

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

2-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpropan-1-ol (PubChem CID 45283387) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpropan-1-ol
PubChem CID45283387
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C15H24N2O/c1-15(2,12-18)16-14-8-9-17(11-14)10-13-6-4-3-5-7-13/h3-7,14,16,18H,8-12H2,1-2H3
InChIKeyFZVXZUKTQNFJFZ-UHFFFAOYSA-N
XLogP1.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine
CID 71648802
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
1-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpentan-2-ol
CID 103709849
2-[(1-benzylpyrrolidin-3-yl)amino]-N-tert-butylacetamide
CID 78913239
N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine
CID 43223634
1-benzyl-N-(2-cyclopropylpropyl)pyrrolidin-3-amine
CID 115662847
2-[(1-benzylpiperidin-4-yl)amino]-2-methylpropanamide
CID 61211452
1-(1-benzylpyrrolidin-3-yl)-3-cyclobutyl-2-methylguanidine
CID 119146341
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)-3,3-dimethylbutanamide;dihydrochloride
CID 119831710
1-benzyl-N-(1-methylcyclopropyl)pyrrolidin-3-amine
CID 162433803

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpropan-1-ol (CID 45283387) is 2-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpropan-1-ol is CC(C)(CO)NC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 2-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpropan-1-ol?
The InChIKey is FZVXZUKTQNFJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2,12-18)16-14-8-9-17(11-14)10-13-6-4-3-5-7-13/h3-7,14,16,18H,8-12H2,1-2H3.
What are the key properties of 2-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpropan-1-ol?
2-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpropan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpyrrolidin-3-yl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 45283387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).