2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentanenitrile

C14H22N4 — CID 64727747

IUPAC2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentanenitrile
SMILESCCc1nccn1C(C)CC(C)(C#N)NC1CC1
InChIInChI=1S/C14H22N4/c1-4-13-16-7-8-18(13)11(2)9-14(3,10-15)17-12-5-6-12/h7-8,11-12,17H,4-6,9H2,1-3H3
InChIKeyLQIPYBIIVZMHRU-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.43
Rot. Bonds6

About 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentanenitrile

2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentanenitrile (PubChem CID 64727747) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentanenitrile
PubChem CID64727747
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentanenitrile
SMILESCCc1nccn1C(C)CC(C)(C#N)NC1CC1
InChIInChI=1S/C14H22N4/c1-4-13-16-7-8-18(13)11(2)9-14(3,10-15)17-12-5-6-12/h7-8,11-12,17H,4-6,9H2,1-3H3
InChIKeyLQIPYBIIVZMHRU-UHFFFAOYSA-N
XLogP2.43
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentanenitrile?
The IUPAC name of 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentanenitrile (CID 64727747) is 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentanenitrile is CCc1nccn1C(C)CC(C)(C#N)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentanenitrile?
The InChIKey is LQIPYBIIVZMHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-4-13-16-7-8-18(13)11(2)9-14(3,10-15)17-12-5-6-12/h7-8,11-12,17H,4-6,9H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentanenitrile?
2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentanenitrile has a molecular weight of 246.36 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentanenitrile is sourced from PubChem (CID 64727747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).