2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanenitrile

C11H21N3 — CID 79314144

IUPAC2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanenitrile
SMILESCC(C#N)CN(C)CC1CCCN1C
InChIInChI=1S/C11H21N3/c1-10(7-12)8-13(2)9-11-5-4-6-14(11)3/h10-11H,4-6,8-9H2,1-3H3
InChIKeyGVNJUKXIAKPHEN-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.17
Rot. Bonds4

About 2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanenitrile

2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanenitrile (PubChem CID 79314144) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanenitrile
PubChem CID79314144
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanenitrile
SMILESCC(C#N)CN(C)CC1CCCN1C
InChIInChI=1S/C11H21N3/c1-10(7-12)8-13(2)9-11-5-4-6-14(11)3/h10-11H,4-6,8-9H2,1-3H3
InChIKeyGVNJUKXIAKPHEN-UHFFFAOYSA-N
XLogP1.17
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 103935244
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 79319228
N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,5-diamine
CID 104682305
4-[1-hydroxy-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethyl]benzonitrile
CID 79314734
2-(bromomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butan-1-amine
CID 79319460
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-2-ol
CID 79315558
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 79314288
N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropan-2-amine
CID 59904541
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]but-3-yn-1-amine
CID 79319044
1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 79314199
1-(1-methoxypropan-2-yloxy)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 106992139
N-methyl-1-(1-methylpyrrolidin-2-yl)-N-(oxiran-2-ylmethyl)methanamine
CID 79313818

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanenitrile?
The IUPAC name of 2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanenitrile (CID 79314144) is 2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanenitrile.
What is the SMILES notation for 2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanenitrile?
The canonical SMILES for 2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanenitrile is CC(C#N)CN(C)CC1CCCN1C.
What is the InChIKey of 2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanenitrile?
The InChIKey is GVNJUKXIAKPHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-10(7-12)8-13(2)9-11-5-4-6-14(11)3/h10-11H,4-6,8-9H2,1-3H3.
What are the key properties of 2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanenitrile?
2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanenitrile has a molecular weight of 195.31 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanenitrile is sourced from PubChem (CID 79314144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).