2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile

C13H23N5 — CID 63026818

IUPAC2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C)(C#N)CN(C)Cc1nccn1C
InChIInChI=1S/C13H23N5/c1-11(2)16-13(3,9-14)10-17(4)8-12-15-6-7-18(12)5/h6-7,11,16H,8,10H2,1-5H3
InChIKeyLDJBKMDGRJPZFW-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.13
Rot. Bonds6

About 2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile

2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile (PubChem CID 63026818) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile
PubChem CID63026818
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C)(C#N)CN(C)Cc1nccn1C
InChIInChI=1S/C13H23N5/c1-11(2)16-13(3,9-14)10-17(4)8-12-15-6-7-18(12)5/h6-7,11,16H,8,10H2,1-5H3
InChIKeyLDJBKMDGRJPZFW-UHFFFAOYSA-N
XLogP1.13
TPSA56.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-N',2,2-trimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63024792
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
2,2-diethyl-N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63024794
N-tert-butyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]-2-propylpropane-1,3-diamine
CID 63024969
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoic acid
CID 63026829
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentan-3-ylethane-1,2-diamine
CID 63025196
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanamide
CID 63024945
2-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pentanal
CID 63024609
N-ethyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63025130
N-tert-butyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63025347
3-[(1-methylimidazol-2-yl)methylamino]butanenitrile
CID 63296004
1-N,4-dimethyl-1-N-[(1-methylimidazol-2-yl)methyl]pentane-1,3-diamine
CID 115317863

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile?
The IUPAC name of 2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile (CID 63026818) is 2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile.
What is the SMILES notation for 2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile?
The canonical SMILES for 2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile is CC(C)NC(C)(C#N)CN(C)Cc1nccn1C.
What is the InChIKey of 2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile?
The InChIKey is LDJBKMDGRJPZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-11(2)16-13(3,9-14)10-17(4)8-12-15-6-7-18(12)5/h6-7,11,16H,8,10H2,1-5H3.
What are the key properties of 2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile?
2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile has a molecular weight of 249.36 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile is sourced from PubChem (CID 63026818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).