5-(1-benzylpyrrolidin-3-yl)pentan-1-amine

C16H26N2 — CID 123137581

IUPAC5-(1-benzylpyrrolidin-3-yl)pentan-1-amine
SMILESNCCCCCC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H26N2/c17-11-6-2-5-9-16-10-12-18(14-16)13-15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14,17H2
InChIKeySTDDHEXQIKZYTP-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.03
Rot. Bonds7

About 5-(1-benzylpyrrolidin-3-yl)pentan-1-amine

5-(1-benzylpyrrolidin-3-yl)pentan-1-amine (PubChem CID 123137581) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 5-(1-benzylpyrrolidin-3-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(1-benzylpyrrolidin-3-yl)pentan-1-amine
PubChem CID123137581
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name5-(1-benzylpyrrolidin-3-yl)pentan-1-amine
SMILESNCCCCCC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H26N2/c17-11-6-2-5-9-16-10-12-18(14-16)13-15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14,17H2
InChIKeySTDDHEXQIKZYTP-UHFFFAOYSA-N
XLogP3.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-propylpyrrolidine
CID 12648211
2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509
3-(1-benzylpyrrolidin-3-yl)propanenitrile
CID 83909920
(3R)-1-benzyl-3-(3-chloropropyl)piperidine
CID 97166703
(3R)-1-benzyl-3-(bromomethyl)pyrrolidine
CID 96555493
1-benzyl-3-ethylpyrrolidine
CID 12648208
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
N'-[(3S)-1-benzylpyrrolidin-3-yl]propane-1,3-diamine
CID 54251680
N'-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N'-cyclopropylethane-1,2-diamine
CID 96552859
1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 71930473
2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethanamine
CID 94894903

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpyrrolidin-3-yl)pentan-1-amine?
The IUPAC name of 5-(1-benzylpyrrolidin-3-yl)pentan-1-amine (CID 123137581) is 5-(1-benzylpyrrolidin-3-yl)pentan-1-amine.
What is the SMILES notation for 5-(1-benzylpyrrolidin-3-yl)pentan-1-amine?
The canonical SMILES for 5-(1-benzylpyrrolidin-3-yl)pentan-1-amine is NCCCCCC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 5-(1-benzylpyrrolidin-3-yl)pentan-1-amine?
The InChIKey is STDDHEXQIKZYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c17-11-6-2-5-9-16-10-12-18(14-16)13-15-7-3-1-4-8-15/h1,3-4,7-8,16H,2,5-6,9-14,17H2.
What are the key properties of 5-(1-benzylpyrrolidin-3-yl)pentan-1-amine?
5-(1-benzylpyrrolidin-3-yl)pentan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpyrrolidin-3-yl)pentan-1-amine is sourced from PubChem (CID 123137581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).