2-[2-aminoethyl(methyl)amino]-N-(1-cyanocyclohexyl)acetamide

C12H22N4O — CID 62687725

IUPAC2-[2-aminoethyl(methyl)amino]-N-(1-cyanocyclohexyl)acetamide
SMILESCN(CCN)CC(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C12H22N4O/c1-16(8-7-13)9-11(17)15-12(10-14)5-3-2-4-6-12/h2-9,13H2,1H3,(H,15,17)
InChIKeyXJGQVVDDAJQODF-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.22
Rot. Bonds5

About 2-[2-aminoethyl(methyl)amino]-N-(1-cyanocyclohexyl)acetamide

2-[2-aminoethyl(methyl)amino]-N-(1-cyanocyclohexyl)acetamide (PubChem CID 62687725) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[2-aminoethyl(methyl)amino]-N-(1-cyanocyclohexyl)acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(methyl)amino]-N-(1-cyanocyclohexyl)acetamide
PubChem CID62687725
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-[2-aminoethyl(methyl)amino]-N-(1-cyanocyclohexyl)acetamide
SMILESCN(CCN)CC(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C12H22N4O/c1-16(8-7-13)9-11(17)15-12(10-14)5-3-2-4-6-12/h2-9,13H2,1H3,(H,15,17)
InChIKeyXJGQVVDDAJQODF-UHFFFAOYSA-N
XLogP0.22
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-aminoethyl(methyl)amino]-N-(1-cyanocyclohexyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-(1-cyanocyclohexyl)acetamide?
The IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-(1-cyanocyclohexyl)acetamide (CID 62687725) is 2-[2-aminoethyl(methyl)amino]-N-(1-cyanocyclohexyl)acetamide.
What is the SMILES notation for 2-[2-aminoethyl(methyl)amino]-N-(1-cyanocyclohexyl)acetamide?
The canonical SMILES for 2-[2-aminoethyl(methyl)amino]-N-(1-cyanocyclohexyl)acetamide is CN(CCN)CC(=O)NC1(C#N)CCCCC1.
What is the InChIKey of 2-[2-aminoethyl(methyl)amino]-N-(1-cyanocyclohexyl)acetamide?
The InChIKey is XJGQVVDDAJQODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-16(8-7-13)9-11(17)15-12(10-14)5-3-2-4-6-12/h2-9,13H2,1H3,(H,15,17).
What are the key properties of 2-[2-aminoethyl(methyl)amino]-N-(1-cyanocyclohexyl)acetamide?
2-[2-aminoethyl(methyl)amino]-N-(1-cyanocyclohexyl)acetamide has a molecular weight of 238.33 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(methyl)amino]-N-(1-cyanocyclohexyl)acetamide is sourced from PubChem (CID 62687725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).