2-(3-cyclopropylimidazol-4-yl)-2-[2-(diethylamino)ethylamino]acetonitrile

C14H23N5 — CID 66140038

IUPAC2-(3-cyclopropylimidazol-4-yl)-2-[2-(diethylamino)ethylamino]acetonitrile
SMILESCCN(CC)CCNC(C#N)c1cncn1C1CC1
InChIInChI=1S/C14H23N5/c1-3-18(4-2)8-7-17-13(9-15)14-10-16-11-19(14)12-5-6-12/h10-13,17H,3-8H2,1-2H3
InChIKeyWAGJIVXHTQAACU-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.71
Rot. Bonds8

About 2-(3-cyclopropylimidazol-4-yl)-2-[2-(diethylamino)ethylamino]acetonitrile

2-(3-cyclopropylimidazol-4-yl)-2-[2-(diethylamino)ethylamino]acetonitrile (PubChem CID 66140038) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(3-cyclopropylimidazol-4-yl)-2-[2-(diethylamino)ethylamino]acetonitrile.

Molecular Properties

Compound Name2-(3-cyclopropylimidazol-4-yl)-2-[2-(diethylamino)ethylamino]acetonitrile
PubChem CID66140038
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name2-(3-cyclopropylimidazol-4-yl)-2-[2-(diethylamino)ethylamino]acetonitrile
SMILESCCN(CC)CCNC(C#N)c1cncn1C1CC1
InChIInChI=1S/C14H23N5/c1-3-18(4-2)8-7-17-13(9-15)14-10-16-11-19(14)12-5-6-12/h10-13,17H,3-8H2,1-2H3
InChIKeyWAGJIVXHTQAACU-UHFFFAOYSA-N
XLogP1.71
TPSA56.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylimidazol-4-yl)-2-[2-(diethylamino)ethylamino]acetonitrile?
The IUPAC name of 2-(3-cyclopropylimidazol-4-yl)-2-[2-(diethylamino)ethylamino]acetonitrile (CID 66140038) is 2-(3-cyclopropylimidazol-4-yl)-2-[2-(diethylamino)ethylamino]acetonitrile.
What is the SMILES notation for 2-(3-cyclopropylimidazol-4-yl)-2-[2-(diethylamino)ethylamino]acetonitrile?
The canonical SMILES for 2-(3-cyclopropylimidazol-4-yl)-2-[2-(diethylamino)ethylamino]acetonitrile is CCN(CC)CCNC(C#N)c1cncn1C1CC1.
What is the InChIKey of 2-(3-cyclopropylimidazol-4-yl)-2-[2-(diethylamino)ethylamino]acetonitrile?
The InChIKey is WAGJIVXHTQAACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-3-18(4-2)8-7-17-13(9-15)14-10-16-11-19(14)12-5-6-12/h10-13,17H,3-8H2,1-2H3.
What are the key properties of 2-(3-cyclopropylimidazol-4-yl)-2-[2-(diethylamino)ethylamino]acetonitrile?
2-(3-cyclopropylimidazol-4-yl)-2-[2-(diethylamino)ethylamino]acetonitrile has a molecular weight of 261.37 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylimidazol-4-yl)-2-[2-(diethylamino)ethylamino]acetonitrile is sourced from PubChem (CID 66140038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).