2-[2-(methylaminomethyl)imidazol-1-yl]propanenitrile

C8H12N4 — CID 62221599

IUPAC2-[2-(methylaminomethyl)imidazol-1-yl]propanenitrile
SMILESCNCc1nccn1C(C)C#N
InChIInChI=1S/C8H12N4/c1-7(5-9)12-4-3-11-8(12)6-10-2/h3-4,7,10H,6H2,1-2H3
InChIKeySBVWMTMQFMZQPZ-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.69
Rot. Bonds3

About 2-[2-(methylaminomethyl)imidazol-1-yl]propanenitrile

2-[2-(methylaminomethyl)imidazol-1-yl]propanenitrile (PubChem CID 62221599) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-[2-(methylaminomethyl)imidazol-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[2-(methylaminomethyl)imidazol-1-yl]propanenitrile
PubChem CID62221599
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name2-[2-(methylaminomethyl)imidazol-1-yl]propanenitrile
SMILESCNCc1nccn1C(C)C#N
InChIInChI=1S/C8H12N4/c1-7(5-9)12-4-3-11-8(12)6-10-2/h3-4,7,10H,6H2,1-2H3
InChIKeySBVWMTMQFMZQPZ-UHFFFAOYSA-N
XLogP0.69
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethyl-4-methylimidazol-1-yl)propanenitrile;2-(2-methylimidazol-1-yl)propanenitrile
CID 70158711
2-(2-ethylimidazol-1-yl)-N-methylpropan-1-amine
CID 62442957
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]-N-methylmethanamine
CID 64784053
(2S)-3-methyl-2-[(1-propan-2-ylimidazol-2-yl)methylamino]butan-1-ol
CID 75501743
4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile
CID 64727550
N-methyl-1-[1-(2-propan-2-ylsulfonylethyl)imidazol-2-yl]methanamine
CID 106717648
N-[(1-propan-2-ylimidazol-2-yl)methyl]cyclopentanamine
CID 117187481
3-[(1-methylimidazol-2-yl)methylamino]butanenitrile
CID 63296004
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]butan-2-amine
CID 43111973
(2S)-2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-1-ol
CID 79250495
N-methyl-3-[2-(methylaminomethyl)imidazol-1-yl]propanamide
CID 62325583
2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]propanoic acid
CID 62221450

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylaminomethyl)imidazol-1-yl]propanenitrile?
The IUPAC name of 2-[2-(methylaminomethyl)imidazol-1-yl]propanenitrile (CID 62221599) is 2-[2-(methylaminomethyl)imidazol-1-yl]propanenitrile.
What is the SMILES notation for 2-[2-(methylaminomethyl)imidazol-1-yl]propanenitrile?
The canonical SMILES for 2-[2-(methylaminomethyl)imidazol-1-yl]propanenitrile is CNCc1nccn1C(C)C#N.
What is the InChIKey of 2-[2-(methylaminomethyl)imidazol-1-yl]propanenitrile?
The InChIKey is SBVWMTMQFMZQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-7(5-9)12-4-3-11-8(12)6-10-2/h3-4,7,10H,6H2,1-2H3.
What are the key properties of 2-[2-(methylaminomethyl)imidazol-1-yl]propanenitrile?
2-[2-(methylaminomethyl)imidazol-1-yl]propanenitrile has a molecular weight of 164.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylaminomethyl)imidazol-1-yl]propanenitrile is sourced from PubChem (CID 62221599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).