2-cyclopropyl-3-imidazol-1-yl-2-(propan-2-ylamino)propanenitrile

C12H18N4 — CID 63906457

IUPAC2-cyclopropyl-3-imidazol-1-yl-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C#N)(Cn1ccnc1)C1CC1
InChIInChI=1S/C12H18N4/c1-10(2)15-12(7-13,11-3-4-11)8-16-6-5-14-9-16/h5-6,9-11,15H,3-4,8H2,1-2H3
InChIKeyIDHLMSDDBWDZRM-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.55
Rot. Bonds5

About 2-cyclopropyl-3-imidazol-1-yl-2-(propan-2-ylamino)propanenitrile

2-cyclopropyl-3-imidazol-1-yl-2-(propan-2-ylamino)propanenitrile (PubChem CID 63906457) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-cyclopropyl-3-imidazol-1-yl-2-(propan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-imidazol-1-yl-2-(propan-2-ylamino)propanenitrile
PubChem CID63906457
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-cyclopropyl-3-imidazol-1-yl-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C#N)(Cn1ccnc1)C1CC1
InChIInChI=1S/C12H18N4/c1-10(2)15-12(7-13,11-3-4-11)8-16-6-5-14-9-16/h5-6,9-11,15H,3-4,8H2,1-2H3
InChIKeyIDHLMSDDBWDZRM-UHFFFAOYSA-N
XLogP1.55
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanenitrile
CID 79184760
2-cyclopropyl-3-(4-methylpyrazol-1-yl)-2-(propan-2-ylamino)propanenitrile
CID 63906887
2-cyclopropyl-3-(4-ethyl-4-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile
CID 63906865
2-cyclopropyl-3-imidazol-1-yl-2-(methylamino)propanoic acid
CID 63919889
3-cyclopentylsulfanyl-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 63907237
2-cyclopropyl-2-(propan-2-ylamino)-3-(1,3-thiazol-2-ylsulfanyl)propanenitrile
CID 63906583
1-[3-imidazol-1-yl-2,2-bis(imidazol-1-ylmethyl)propyl]imidazole;pentahydrate
CID 139144958
1-(cyclooctylmethyl)imidazole
CID 20550238
3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 63913097
1-imidazol-1-yl-2,3-dimethylbutan-2-ol
CID 114447498
N-(3-imidazol-1-yl-2,2-dimethylpropyl)cyclopropanamine
CID 79620812
2-cyclopropyl-2-(ethylamino)-3-imidazol-1-ylpropanamide
CID 63920086

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-imidazol-1-yl-2-(propan-2-ylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-imidazol-1-yl-2-(propan-2-ylamino)propanenitrile (CID 63906457) is 2-cyclopropyl-3-imidazol-1-yl-2-(propan-2-ylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-imidazol-1-yl-2-(propan-2-ylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-imidazol-1-yl-2-(propan-2-ylamino)propanenitrile is CC(C)NC(C#N)(Cn1ccnc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-imidazol-1-yl-2-(propan-2-ylamino)propanenitrile?
The InChIKey is IDHLMSDDBWDZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-10(2)15-12(7-13,11-3-4-11)8-16-6-5-14-9-16/h5-6,9-11,15H,3-4,8H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-imidazol-1-yl-2-(propan-2-ylamino)propanenitrile?
2-cyclopropyl-3-imidazol-1-yl-2-(propan-2-ylamino)propanenitrile has a molecular weight of 218.30 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-imidazol-1-yl-2-(propan-2-ylamino)propanenitrile is sourced from PubChem (CID 63906457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).