3-[ethyl-[2-(1-methylimidazol-2-yl)ethyl]amino]propanenitrile

C11H18N4 — CID 114527861

IUPAC3-[ethyl-[2-(1-methylimidazol-2-yl)ethyl]amino]propanenitrile
SMILESCCN(CCC#N)CCc1nccn1C
InChIInChI=1S/C11H18N4/c1-3-15(8-4-6-12)9-5-11-13-7-10-14(11)2/h7,10H,3-5,8-9H2,1-2H3
InChIKeyKIFWWDQFOMLQDL-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.20
Rot. Bonds6

About 3-[ethyl-[2-(1-methylimidazol-2-yl)ethyl]amino]propanenitrile

3-[ethyl-[2-(1-methylimidazol-2-yl)ethyl]amino]propanenitrile (PubChem CID 114527861) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-[ethyl-[2-(1-methylimidazol-2-yl)ethyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[ethyl-[2-(1-methylimidazol-2-yl)ethyl]amino]propanenitrile
PubChem CID114527861
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name3-[ethyl-[2-(1-methylimidazol-2-yl)ethyl]amino]propanenitrile
SMILESCCN(CCC#N)CCc1nccn1C
InChIInChI=1S/C11H18N4/c1-3-15(8-4-6-12)9-5-11-13-7-10-14(11)2/h7,10H,3-5,8-9H2,1-2H3
InChIKeyKIFWWDQFOMLQDL-UHFFFAOYSA-N
XLogP1.20
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[ethyl-[2-(1-methylimidazol-2-yl)ethyl]amino]acetate
CID 114531178
N-ethyl-2-(1-methylimidazol-2-yl)-N-(piperidin-3-ylmethyl)ethanamine
CID 106638427
azane;1-methyl-2-propylimidazole
CID 174525892
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
N,N-bis[3-(1-methylimidazol-2-yl)propyl]heptan-1-amine
CID 140833514
methanamine;1-methyl-2-propylimidazole
CID 164902083
N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 114525994
2-butyl-1-methylimidazole;fluoroform
CID 162050255
N-ethyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 114528215
4-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527344
1-methyl-2-nonylimidazole
CID 67393993
1-methyl-2-pentadecylimidazole
CID 68899434

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-(1-methylimidazol-2-yl)ethyl]amino]propanenitrile?
The IUPAC name of 3-[ethyl-[2-(1-methylimidazol-2-yl)ethyl]amino]propanenitrile (CID 114527861) is 3-[ethyl-[2-(1-methylimidazol-2-yl)ethyl]amino]propanenitrile.
What is the SMILES notation for 3-[ethyl-[2-(1-methylimidazol-2-yl)ethyl]amino]propanenitrile?
The canonical SMILES for 3-[ethyl-[2-(1-methylimidazol-2-yl)ethyl]amino]propanenitrile is CCN(CCC#N)CCc1nccn1C.
What is the InChIKey of 3-[ethyl-[2-(1-methylimidazol-2-yl)ethyl]amino]propanenitrile?
The InChIKey is KIFWWDQFOMLQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-3-15(8-4-6-12)9-5-11-13-7-10-14(11)2/h7,10H,3-5,8-9H2,1-2H3.
What are the key properties of 3-[ethyl-[2-(1-methylimidazol-2-yl)ethyl]amino]propanenitrile?
3-[ethyl-[2-(1-methylimidazol-2-yl)ethyl]amino]propanenitrile has a molecular weight of 206.29 g/mol, XLogP of 1.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(1-methylimidazol-2-yl)ethyl]amino]propanenitrile is sourced from PubChem (CID 114527861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).