2-(cyclopropylamino)-2-ethyl-5-(2-methylimidazol-1-yl)pentanenitrile

C14H22N4 — CID 106804107

IUPAC2-(cyclopropylamino)-2-ethyl-5-(2-methylimidazol-1-yl)pentanenitrile
SMILESCCC(C#N)(CCCn1ccnc1C)NC1CC1
InChIInChI=1S/C14H22N4/c1-3-14(11-15,17-13-5-6-13)7-4-9-18-10-8-16-12(18)2/h8,10,13,17H,3-7,9H2,1-2H3
InChIKeyMXSOIVCJVOANKV-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.40
Rot. Bonds7

About 2-(cyclopropylamino)-2-ethyl-5-(2-methylimidazol-1-yl)pentanenitrile

2-(cyclopropylamino)-2-ethyl-5-(2-methylimidazol-1-yl)pentanenitrile (PubChem CID 106804107) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-ethyl-5-(2-methylimidazol-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-ethyl-5-(2-methylimidazol-1-yl)pentanenitrile
PubChem CID106804107
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-(cyclopropylamino)-2-ethyl-5-(2-methylimidazol-1-yl)pentanenitrile
SMILESCCC(C#N)(CCCn1ccnc1C)NC1CC1
InChIInChI=1S/C14H22N4/c1-3-14(11-15,17-13-5-6-13)7-4-9-18-10-8-16-12(18)2/h8,10,13,17H,3-7,9H2,1-2H3
InChIKeyMXSOIVCJVOANKV-UHFFFAOYSA-N
XLogP2.40
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(benzimidazol-1-yl)-2-(cyclopropylamino)-2-ethylpentanenitrile
CID 106804117
2-(cyclopropylamino)-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethylpentanenitrile
CID 106804019
2-(cyclopropylamino)-2-ethyl-5-(1-methylpyrazol-4-yl)sulfanylpentanenitrile
CID 106805297
2-(cyclopropylamino)-2-ethyl-5-(3-ethylpyrrolidin-1-yl)pentanenitrile
CID 106803966
2-(cyclopropylamino)-5-(2,3-dihydroindol-1-yl)-2-ethylpentanenitrile
CID 106802800
2-(cyclopropylamino)-2-ethyl-5-methylsulfanylpentanenitrile
CID 106805271
2-(cyclopropylamino)-5-(dibutylamino)-2-ethylpentanenitrile
CID 106802939
5-tert-butylsulfanyl-2-(cyclopropylamino)-2-ethylpentanenitrile
CID 106805078
N-[4-(2-methylimidazol-1-yl)butyl]cyclopentanamine
CID 115654607
2-(cyclopropylamino)-2-ethyl-5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pentanenitrile
CID 106805017
2-methyl-1-octylimidazole;hydrate
CID 174602652
2-(cyclopropylamino)-5-(2,5-dimethylphenyl)sulfanyl-2-ethylpentanenitrile
CID 106805224

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-ethyl-5-(2-methylimidazol-1-yl)pentanenitrile?
The IUPAC name of 2-(cyclopropylamino)-2-ethyl-5-(2-methylimidazol-1-yl)pentanenitrile (CID 106804107) is 2-(cyclopropylamino)-2-ethyl-5-(2-methylimidazol-1-yl)pentanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-ethyl-5-(2-methylimidazol-1-yl)pentanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-ethyl-5-(2-methylimidazol-1-yl)pentanenitrile is CCC(C#N)(CCCn1ccnc1C)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-ethyl-5-(2-methylimidazol-1-yl)pentanenitrile?
The InChIKey is MXSOIVCJVOANKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-3-14(11-15,17-13-5-6-13)7-4-9-18-10-8-16-12(18)2/h8,10,13,17H,3-7,9H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-ethyl-5-(2-methylimidazol-1-yl)pentanenitrile?
2-(cyclopropylamino)-2-ethyl-5-(2-methylimidazol-1-yl)pentanenitrile has a molecular weight of 246.36 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-ethyl-5-(2-methylimidazol-1-yl)pentanenitrile is sourced from PubChem (CID 106804107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).