3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pentanenitrile

C12H23N3 — CID 55211743

IUPAC3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pentanenitrile
SMILESCCC(CC#N)N1CCCC1CN(C)C
InChIInChI=1S/C12H23N3/c1-4-11(7-8-13)15-9-5-6-12(15)10-14(2)3/h11-12H,4-7,9-10H2,1-3H3
InChIKeyNXWPIUIYBBRMSU-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.70
Rot. Bonds5

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

3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pentanenitrile (PubChem CID 55211743) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pentanenitrile.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pentanenitrile
PubChem CID55211743
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pentanenitrile
SMILESCCC(CC#N)N1CCCC1CN(C)C
InChIInChI=1S/C12H23N3/c1-4-11(7-8-13)15-9-5-6-12(15)10-14(2)3/h11-12H,4-7,9-10H2,1-3H3
InChIKeyNXWPIUIYBBRMSU-UHFFFAOYSA-N
XLogP1.70
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pentanenitrile?
The IUPAC name of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pentanenitrile (CID 55211743) is 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pentanenitrile.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pentanenitrile?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pentanenitrile is CCC(CC#N)N1CCCC1CN(C)C.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pentanenitrile?
The InChIKey is NXWPIUIYBBRMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-11(7-8-13)15-9-5-6-12(15)10-14(2)3/h11-12H,4-7,9-10H2,1-3H3.
What are the key properties of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pentanenitrile?
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pentanenitrile has a molecular weight of 209.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pentanenitrile is sourced from PubChem (CID 55211743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).