(1S)-N-(2-cyanoethyl)-N-(3-methylbutyl)cyclohex-3-ene-1-carboxamide

C15H24N2O — CID 95330405

IUPAC(1S)-N-(2-cyanoethyl)-N-(3-methylbutyl)cyclohex-3-ene-1-carboxamide
SMILESCC(C)CCN(CCC#N)C(=O)[C@@H]1CC=CCC1
InChIInChI=1S/C15H24N2O/c1-13(2)9-12-17(11-6-10-16)15(18)14-7-4-3-5-8-14/h3-4,13-14H,5-9,11-12H2,1-2H3/t14-/m1/s1
InChIKeyDEHUGCGSIOIYEN-CQSZACIVSA-N
MW248.37 g/mol
LogP3.13
Rot. Bonds6

About (1S)-N-(2-cyanoethyl)-N-(3-methylbutyl)cyclohex-3-ene-1-carboxamide

(1S)-N-(2-cyanoethyl)-N-(3-methylbutyl)cyclohex-3-ene-1-carboxamide (PubChem CID 95330405) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (1S)-N-(2-cyanoethyl)-N-(3-methylbutyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(2-cyanoethyl)-N-(3-methylbutyl)cyclohex-3-ene-1-carboxamide
PubChem CID95330405
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(1S)-N-(2-cyanoethyl)-N-(3-methylbutyl)cyclohex-3-ene-1-carboxamide
SMILESCC(C)CCN(CCC#N)C(=O)[C@@H]1CC=CCC1
InChIInChI=1S/C15H24N2O/c1-13(2)9-12-17(11-6-10-16)15(18)14-7-4-3-5-8-14/h3-4,13-14H,5-9,11-12H2,1-2H3/t14-/m1/s1
InChIKeyDEHUGCGSIOIYEN-CQSZACIVSA-N
XLogP3.13
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S)-N-(2-cyanoethyl)-N-(3-methylbutyl)cyclohex-3-ene-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(1S)-N-(cyanomethyl)-N-propylcyclohex-3-ene-1-carboxamide
CID 125145424
3-[cyclohex-3-ene-1-carbonyl(2-methylpropyl)amino]propanoic acid
CID 119189963
N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 60592086
N,N-bis(2-methoxyethyl)cyclohex-3-ene-1-carboxamide
CID 86911262
6-[2-cyanoethyl(2-methylpropyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 60661976
3-[2-cyanoethyl(2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784530
N-propyl-N-prop-2-ynylcyclohex-3-ene-1-carboxamide
CID 78970491
2-[bis(3-methylbutyl)amino]ethyl cyclohex-3-ene-1-carboxylate
CID 71370879
N-(2-hydroxyethyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide
CID 43573246
(1R)-N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide
CID 94459977
N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohex-3-ene-1-carboxamide
CID 71983310
(1S)-N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide
CID 94459978

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(2-cyanoethyl)-N-(3-methylbutyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-(2-cyanoethyl)-N-(3-methylbutyl)cyclohex-3-ene-1-carboxamide (CID 95330405) is (1S)-N-(2-cyanoethyl)-N-(3-methylbutyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-(2-cyanoethyl)-N-(3-methylbutyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-(2-cyanoethyl)-N-(3-methylbutyl)cyclohex-3-ene-1-carboxamide is CC(C)CCN(CCC#N)C(=O)[C@@H]1CC=CCC1.
What is the InChIKey of (1S)-N-(2-cyanoethyl)-N-(3-methylbutyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is DEHUGCGSIOIYEN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13(2)9-12-17(11-6-10-16)15(18)14-7-4-3-5-8-14/h3-4,13-14H,5-9,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (1S)-N-(2-cyanoethyl)-N-(3-methylbutyl)cyclohex-3-ene-1-carboxamide?
(1S)-N-(2-cyanoethyl)-N-(3-methylbutyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 248.37 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(2-cyanoethyl)-N-(3-methylbutyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 95330405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).