3-[2-(aminomethyl)pyrrolidin-1-yl]pentanenitrile

C10H19N3 — CID 115312813

IUPAC3-[2-(aminomethyl)pyrrolidin-1-yl]pentanenitrile
SMILESCCC(CC#N)N1CCCC1CN
InChIInChI=1S/C10H19N3/c1-2-9(5-6-11)13-7-3-4-10(13)8-12/h9-10H,2-5,7-8,12H2,1H3
InChIKeyIMQHVPWJXVZZMW-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.10
Rot. Bonds4

About 3-[2-(aminomethyl)pyrrolidin-1-yl]pentanenitrile

3-[2-(aminomethyl)pyrrolidin-1-yl]pentanenitrile (PubChem CID 115312813) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-[2-(aminomethyl)pyrrolidin-1-yl]pentanenitrile.

Molecular Properties

Compound Name3-[2-(aminomethyl)pyrrolidin-1-yl]pentanenitrile
PubChem CID115312813
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name3-[2-(aminomethyl)pyrrolidin-1-yl]pentanenitrile
SMILESCCC(CC#N)N1CCCC1CN
InChIInChI=1S/C10H19N3/c1-2-9(5-6-11)13-7-3-4-10(13)8-12/h9-10H,2-5,7-8,12H2,1H3
InChIKeyIMQHVPWJXVZZMW-UHFFFAOYSA-N
XLogP1.10
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)pyrrolidin-1-yl]pentanenitrile?
The IUPAC name of 3-[2-(aminomethyl)pyrrolidin-1-yl]pentanenitrile (CID 115312813) is 3-[2-(aminomethyl)pyrrolidin-1-yl]pentanenitrile.
What is the SMILES notation for 3-[2-(aminomethyl)pyrrolidin-1-yl]pentanenitrile?
The canonical SMILES for 3-[2-(aminomethyl)pyrrolidin-1-yl]pentanenitrile is CCC(CC#N)N1CCCC1CN.
What is the InChIKey of 3-[2-(aminomethyl)pyrrolidin-1-yl]pentanenitrile?
The InChIKey is IMQHVPWJXVZZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-2-9(5-6-11)13-7-3-4-10(13)8-12/h9-10H,2-5,7-8,12H2,1H3.
What are the key properties of 3-[2-(aminomethyl)pyrrolidin-1-yl]pentanenitrile?
3-[2-(aminomethyl)pyrrolidin-1-yl]pentanenitrile has a molecular weight of 181.28 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)pyrrolidin-1-yl]pentanenitrile is sourced from PubChem (CID 115312813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).