5-[3-(aminomethyl)pyrrolidin-1-yl]pentanenitrile

C10H19N3 — CID 62063600

IUPAC5-[3-(aminomethyl)pyrrolidin-1-yl]pentanenitrile
SMILESN#CCCCCN1CCC(CN)C1
InChIInChI=1S/C10H19N3/c11-5-2-1-3-6-13-7-4-10(8-12)9-13/h10H,1-4,6-9,12H2
InChIKeyUPESWJRHGVAPMW-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.96
Rot. Bonds5

About 5-[3-(aminomethyl)pyrrolidin-1-yl]pentanenitrile

5-[3-(aminomethyl)pyrrolidin-1-yl]pentanenitrile (PubChem CID 62063600) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-[3-(aminomethyl)pyrrolidin-1-yl]pentanenitrile.

Molecular Properties

Compound Name5-[3-(aminomethyl)pyrrolidin-1-yl]pentanenitrile
PubChem CID62063600
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name5-[3-(aminomethyl)pyrrolidin-1-yl]pentanenitrile
SMILESN#CCCCCN1CCC(CN)C1
InChIInChI=1S/C10H19N3/c11-5-2-1-3-6-13-7-4-10(8-12)9-13/h10H,1-4,6-9,12H2
InChIKeyUPESWJRHGVAPMW-UHFFFAOYSA-N
XLogP0.96
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]pentanenitrile
CID 80553177
4-[(3S)-3-aminopyrrolidin-1-yl]butanenitrile
CID 94340658
2-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]acetonitrile
CID 94342020
5-[4-(hydroxymethyl)piperidin-1-yl]pentanenitrile
CID 53418278
6-[3-(aminomethyl)pyrrolidin-1-yl]hexan-1-ol
CID 103815424
[(3S)-1-butylpyrrolidin-3-yl]methanamine
CID 42257234
5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanenitrile
CID 62996721
5-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
CID 55176008
4-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbutanamide
CID 63891241
[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine
CID 24703103
3-[3-(2-chloroethyl)pyrrolidin-1-yl]propanenitrile
CID 12612443
5-[4-(cyclopropylmethylamino)piperidin-1-yl]pentanenitrile
CID 115307297

Frequently Asked Questions

What is the IUPAC name of 5-[3-(aminomethyl)pyrrolidin-1-yl]pentanenitrile?
The IUPAC name of 5-[3-(aminomethyl)pyrrolidin-1-yl]pentanenitrile (CID 62063600) is 5-[3-(aminomethyl)pyrrolidin-1-yl]pentanenitrile.
What is the SMILES notation for 5-[3-(aminomethyl)pyrrolidin-1-yl]pentanenitrile?
The canonical SMILES for 5-[3-(aminomethyl)pyrrolidin-1-yl]pentanenitrile is N#CCCCCN1CCC(CN)C1.
What is the InChIKey of 5-[3-(aminomethyl)pyrrolidin-1-yl]pentanenitrile?
The InChIKey is UPESWJRHGVAPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c11-5-2-1-3-6-13-7-4-10(8-12)9-13/h10H,1-4,6-9,12H2.
What are the key properties of 5-[3-(aminomethyl)pyrrolidin-1-yl]pentanenitrile?
5-[3-(aminomethyl)pyrrolidin-1-yl]pentanenitrile has a molecular weight of 181.28 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(aminomethyl)pyrrolidin-1-yl]pentanenitrile is sourced from PubChem (CID 62063600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).