2-(benzylamino)-5-pyrrolidin-1-ylpent-3-yn-1-ol

C16H22N2O — CID 6612508

IUPAC2-(benzylamino)-5-pyrrolidin-1-ylpent-3-yn-1-ol
SMILESOCC(C#CCN1CCCC1)NCc1ccccc1
InChIInChI=1S/C16H22N2O/c19-14-16(9-6-12-18-10-4-5-11-18)17-13-15-7-2-1-3-8-15/h1-3,7-8,16-17,19H,4-5,10-14H2
InChIKeySVBOAMBQNUZVTL-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.24
Rot. Bonds5

About 2-(benzylamino)-5-pyrrolidin-1-ylpent-3-yn-1-ol

2-(benzylamino)-5-pyrrolidin-1-ylpent-3-yn-1-ol (PubChem CID 6612508) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-(benzylamino)-5-pyrrolidin-1-ylpent-3-yn-1-ol.

Molecular Properties

Compound Name2-(benzylamino)-5-pyrrolidin-1-ylpent-3-yn-1-ol
PubChem CID6612508
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-(benzylamino)-5-pyrrolidin-1-ylpent-3-yn-1-ol
SMILESOCC(C#CCN1CCCC1)NCc1ccccc1
InChIInChI=1S/C16H22N2O/c19-14-16(9-6-12-18-10-4-5-11-18)17-13-15-7-2-1-3-8-15/h1-3,7-8,16-17,19H,4-5,10-14H2
InChIKeySVBOAMBQNUZVTL-UHFFFAOYSA-N
XLogP1.24
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-5-(azepan-1-yl)-2-(benzylamino)pent-3-yn-1-ol
CID 1392681
1-phenyl-4-piperidin-1-ylbut-2-yn-1-ol
CID 2840251
(1S)-N-benzyl-1-phenyl-2-piperidin-1-ylethanamine
CID 11254892
(2S,3R)-3-(benzylamino)-4,4,4-trifluoro-1-piperidin-1-ylbutan-2-ol
CID 44541164
N-benzyl-1-phenylmethanamine;1-benzylpiperidine
CID 123620397
N-benzyl-N-methyl-4-pyrrolidin-1-ylbut-2-yn-1-amine
CID 54276593
2-(benzylamino)-2-(1-methylcyclopentyl)ethanol
CID 130768817
(3S)-2-methyl-3-phenyl-6-piperidin-1-ylhex-4-yn-3-ol
CID 831838
2-methyl-3-phenyl-6-piperidin-1-ylhex-4-yn-3-ol
CID 3147113
2-(benzylamino)-3-morpholin-4-ylpropanoic acid
CID 91254110
1-benzylazepane
CID 10954328
2-(benzylamino)-3-cyclopentylpropanenitrile
CID 130949938

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-5-pyrrolidin-1-ylpent-3-yn-1-ol?
The IUPAC name of 2-(benzylamino)-5-pyrrolidin-1-ylpent-3-yn-1-ol (CID 6612508) is 2-(benzylamino)-5-pyrrolidin-1-ylpent-3-yn-1-ol.
What is the SMILES notation for 2-(benzylamino)-5-pyrrolidin-1-ylpent-3-yn-1-ol?
The canonical SMILES for 2-(benzylamino)-5-pyrrolidin-1-ylpent-3-yn-1-ol is OCC(C#CCN1CCCC1)NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-5-pyrrolidin-1-ylpent-3-yn-1-ol?
The InChIKey is SVBOAMBQNUZVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-14-16(9-6-12-18-10-4-5-11-18)17-13-15-7-2-1-3-8-15/h1-3,7-8,16-17,19H,4-5,10-14H2.
What are the key properties of 2-(benzylamino)-5-pyrrolidin-1-ylpent-3-yn-1-ol?
2-(benzylamino)-5-pyrrolidin-1-ylpent-3-yn-1-ol has a molecular weight of 258.37 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-5-pyrrolidin-1-ylpent-3-yn-1-ol is sourced from PubChem (CID 6612508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).