(1S)-N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide

C14H23NO — CID 94459978

IUPAC(1S)-N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide
SMILESCCCN(CC1CC1)C(=O)[C@@H]1CC=CCC1
InChIInChI=1S/C14H23NO/c1-2-10-15(11-12-8-9-12)14(16)13-6-4-3-5-7-13/h3-4,12-13H,2,5-11H2,1H3/t13-/m1/s1
InChIKeyWSLRNUVOKQBCEY-CYBMUJFWSA-N
MW221.34 g/mol
LogP2.99
Rot. Bonds5

About (1S)-N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide

(1S)-N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide (PubChem CID 94459978) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (1S)-N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide
PubChem CID94459978
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(1S)-N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide
SMILESCCCN(CC1CC1)C(=O)[C@@H]1CC=CCC1
InChIInChI=1S/C14H23NO/c1-2-10-15(11-12-8-9-12)14(16)13-6-4-3-5-7-13/h3-4,12-13H,2,5-11H2,1H3/t13-/m1/s1
InChIKeyWSLRNUVOKQBCEY-CYBMUJFWSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S)-N-(cyclopropylmethyl)-N-propylcyclohex-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

1-(3,6-Dihydropyridin-1(2H)-yl)-2-methylpentan-1-one
CID 602332
AI 3-37220
CID 90567
1-(3-Cyclohexen-1-ylcarbonyl)piperidine
CID 162129
1-Cyclohex-3-enylmethyl-piperidine-4-carboxylic acid diethylamide
CID 645987
Pyrrolidine, 1-((6-methyl-3-cyclohexen-1-yl)carbonyl)-
CID 3050744
Piperidine, 1-((6-methyl-3-cyclohexen-1-yl)carbonyl)-
CID 3055356
(Cyclohex-2-en-1-yl)(3,6-dihydropyridin-1(2H)-yl)methanone
CID 3059805
Azepan-1-yl(cyclohex-3-en-1-yl)methanone
CID 304091
SS-220
CID 40579125
N,N-dimethylcyclohex-3-ene-1-carboxamide
CID 12760856
2-[(1R)-cyclopent-2-en-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 39969447
2-[(1R)-cyclopent-2-en-1-yl]-N-cyclopentyl-N-methylacetamide
CID 40137759

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide (CID 94459978) is (1S)-N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide is CCCN(CC1CC1)C(=O)[C@@H]1CC=CCC1.
What is the InChIKey of (1S)-N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide?
The InChIKey is WSLRNUVOKQBCEY-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-10-15(11-12-8-9-12)14(16)13-6-4-3-5-7-13/h3-4,12-13H,2,5-11H2,1H3/t13-/m1/s1.
What are the key properties of (1S)-N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide?
(1S)-N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide has a molecular weight of 221.34 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 94459978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).