(3R,4R)-1-benzyl-4-(butylamino)pyrrolidin-3-ol

C15H24N2O — CID 24783882

IUPAC(3R,4R)-1-benzyl-4-(butylamino)pyrrolidin-3-ol
SMILESCCCCN[C@@H]1CN(Cc2ccccc2)C[C@H]1O
InChIInChI=1S/C15H24N2O/c1-2-3-9-16-14-11-17(12-15(14)18)10-13-7-5-4-6-8-13/h4-8,14-16,18H,2-3,9-12H2,1H3/t14-,15-/m1/s1
InChIKeyISJCQNLBAKJDQT-HUUCEWRRSA-N
MW248.37 g/mol
LogP1.62
Rot. Bonds6

About (3R,4R)-1-benzyl-4-(butylamino)pyrrolidin-3-ol

(3R,4R)-1-benzyl-4-(butylamino)pyrrolidin-3-ol (PubChem CID 24783882) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (3R,4R)-1-benzyl-4-(butylamino)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-benzyl-4-(butylamino)pyrrolidin-3-ol
PubChem CID24783882
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(3R,4R)-1-benzyl-4-(butylamino)pyrrolidin-3-ol
SMILESCCCCN[C@@H]1CN(Cc2ccccc2)C[C@H]1O
InChIInChI=1S/C15H24N2O/c1-2-3-9-16-14-11-17(12-15(14)18)10-13-7-5-4-6-8-13/h4-8,14-16,18H,2-3,9-12H2,1H3/t14-,15-/m1/s1
InChIKeyISJCQNLBAKJDQT-HUUCEWRRSA-N
XLogP1.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S,4S)-4-(butylamino)-1-ethylpyrrolidin-3-ol
CID 54288486
(3R,4R)-4-anilino-1-benzylpyrrolidin-3-ol
CID 59394921
1-benzyl-N-butylpiperidin-4-amine
CID 11253643
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
1-benzyl-4-ethylpyrrolidin-3-ol
CID 18939335
(3S,4R)-1-benzyl-4-ethylpyrrolidin-3-ol
CID 57045077
3-benzyl-N-propyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 130855630
N-[(3R,4R)-1-benzyl-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide
CID 110133026
1-benzyl-4-(ethylamino)pyrrolidine-3-carboxylic acid
CID 83851265
(3S,4S)-1-benzyl-4-(2-methylanilino)piperidin-3-ol
CID 67312130
1-benzyl-4-phenylpyrrolidin-3-ol
CID 12044053

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-benzyl-4-(butylamino)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-benzyl-4-(butylamino)pyrrolidin-3-ol (CID 24783882) is (3R,4R)-1-benzyl-4-(butylamino)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-benzyl-4-(butylamino)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-benzyl-4-(butylamino)pyrrolidin-3-ol is CCCCN[C@@H]1CN(Cc2ccccc2)C[C@H]1O.
What is the InChIKey of (3R,4R)-1-benzyl-4-(butylamino)pyrrolidin-3-ol?
The InChIKey is ISJCQNLBAKJDQT-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-3-9-16-14-11-17(12-15(14)18)10-13-7-5-4-6-8-13/h4-8,14-16,18H,2-3,9-12H2,1H3/t14-,15-/m1/s1.
What are the key properties of (3R,4R)-1-benzyl-4-(butylamino)pyrrolidin-3-ol?
(3R,4R)-1-benzyl-4-(butylamino)pyrrolidin-3-ol has a molecular weight of 248.37 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-benzyl-4-(butylamino)pyrrolidin-3-ol is sourced from PubChem (CID 24783882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).