N,N-di(propan-2-yl)cyclohex-3-ene-1-carboxamide

C13H23NO — CID 13197542

IUPACN,N-di(propan-2-yl)cyclohex-3-ene-1-carboxamide
SMILESCC(C)N(C(=O)C1CC=CCC1)C(C)C
InChIInChI=1S/C13H23NO/c1-10(2)14(11(3)4)13(15)12-8-6-5-7-9-12/h5-6,10-12H,7-9H2,1-4H3
InChIKeySXVGBVQVNFHOCB-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.99
Rot. Bonds3

About N,N-di(propan-2-yl)cyclohex-3-ene-1-carboxamide

N,N-di(propan-2-yl)cyclohex-3-ene-1-carboxamide (PubChem CID 13197542) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N,N-di(propan-2-yl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)cyclohex-3-ene-1-carboxamide
PubChem CID13197542
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN,N-di(propan-2-yl)cyclohex-3-ene-1-carboxamide
SMILESCC(C)N(C(=O)C1CC=CCC1)C(C)C
InChIInChI=1S/C13H23NO/c1-10(2)14(11(3)4)13(15)12-8-6-5-7-9-12/h5-6,10-12H,7-9H2,1-4H3
InChIKeySXVGBVQVNFHOCB-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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AI 3-37220
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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
(5Z,8Z,11Z,14Z)-N-Methyl-N-(1-methylethyl)-5,8,11,14-eicosatetraenamide
CID 44270427
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

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N,N-di(propan-2-yl)cyclohex-3-ene-1-carboxamide (CID 13197542) is N,N-di(propan-2-yl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N,N-di(propan-2-yl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N,N-di(propan-2-yl)cyclohex-3-ene-1-carboxamide is CC(C)N(C(=O)C1CC=CCC1)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)cyclohex-3-ene-1-carboxamide?
The InChIKey is SXVGBVQVNFHOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-10(2)14(11(3)4)13(15)12-8-6-5-7-9-12/h5-6,10-12H,7-9H2,1-4H3.
What are the key properties of N,N-di(propan-2-yl)cyclohex-3-ene-1-carboxamide?
N,N-di(propan-2-yl)cyclohex-3-ene-1-carboxamide has a molecular weight of 209.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 13197542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).