2-[(2-cyano-5-ethylcyclohexyl)-methylamino]-N-cyclopropylacetamide

C15H25N3O — CID 55002711

IUPAC2-[(2-cyano-5-ethylcyclohexyl)-methylamino]-N-cyclopropylacetamide
SMILESCCC1CCC(C#N)C(N(C)CC(=O)NC2CC2)C1
InChIInChI=1S/C15H25N3O/c1-3-11-4-5-12(9-16)14(8-11)18(2)10-15(19)17-13-6-7-13/h11-14H,3-8,10H2,1-2H3,(H,17,19)
InChIKeyONUJDGGKFPEYEL-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.92
Rot. Bonds5

About 2-[(2-cyano-5-ethylcyclohexyl)-methylamino]-N-cyclopropylacetamide

2-[(2-cyano-5-ethylcyclohexyl)-methylamino]-N-cyclopropylacetamide (PubChem CID 55002711) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[(2-cyano-5-ethylcyclohexyl)-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(2-cyano-5-ethylcyclohexyl)-methylamino]-N-cyclopropylacetamide
PubChem CID55002711
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[(2-cyano-5-ethylcyclohexyl)-methylamino]-N-cyclopropylacetamide
SMILESCCC1CCC(C#N)C(N(C)CC(=O)NC2CC2)C1
InChIInChI=1S/C15H25N3O/c1-3-11-4-5-12(9-16)14(8-11)18(2)10-15(19)17-13-6-7-13/h11-14H,3-8,10H2,1-2H3,(H,17,19)
InChIKeyONUJDGGKFPEYEL-UHFFFAOYSA-N
XLogP1.92
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropylmethyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile
CID 55026446
2-[butyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile
CID 43291631
2-[(2-cyano-5-propylcyclohexyl)-methylamino]-N,N-diethylacetamide
CID 61451259
4-ethyl-2-[methyl(pentan-2-yl)amino]cyclohexane-1-carbonitrile
CID 43572083
2-[cyanomethyl(methyl)amino]-N-cyclopropylacetamide
CID 60677002
2-[2-hydroxypropyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile
CID 55060731
4-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]cyclohexane-1-carbonitrile
CID 43564181
2-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-propylacetamide
CID 61453015
2-[1-cyanoethyl(methyl)amino]-N-cyclopropylacetamide
CID 60670090
2-[cyclobutylmethyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile
CID 62861497
3-[(2-cyano-5-methylcyclohexyl)-methylamino]-N-methylpropanamide
CID 106915497
2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-methylamino]-N-cyclopropylacetamide
CID 43575620

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyano-5-ethylcyclohexyl)-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(2-cyano-5-ethylcyclohexyl)-methylamino]-N-cyclopropylacetamide (CID 55002711) is 2-[(2-cyano-5-ethylcyclohexyl)-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(2-cyano-5-ethylcyclohexyl)-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(2-cyano-5-ethylcyclohexyl)-methylamino]-N-cyclopropylacetamide is CCC1CCC(C#N)C(N(C)CC(=O)NC2CC2)C1.
What is the InChIKey of 2-[(2-cyano-5-ethylcyclohexyl)-methylamino]-N-cyclopropylacetamide?
The InChIKey is ONUJDGGKFPEYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-11-4-5-12(9-16)14(8-11)18(2)10-15(19)17-13-6-7-13/h11-14H,3-8,10H2,1-2H3,(H,17,19).
What are the key properties of 2-[(2-cyano-5-ethylcyclohexyl)-methylamino]-N-cyclopropylacetamide?
2-[(2-cyano-5-ethylcyclohexyl)-methylamino]-N-cyclopropylacetamide has a molecular weight of 263.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyano-5-ethylcyclohexyl)-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 55002711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).