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

C16H27NO — CID 13197550

IUPACN,N-di(propan-2-yl)-2-prop-2-enylcyclohex-3-ene-1-carboxamide
SMILESC=CCC1C=CCCC1C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C16H27NO/c1-6-9-14-10-7-8-11-15(14)16(18)17(12(2)3)13(4)5/h6-7,10,12-15H,1,8-9,11H2,2-5H3
InChIKeyULAVRRVUYJUQRK-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.79
Rot. Bonds5

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

N,N-di(propan-2-yl)-2-prop-2-enylcyclohex-3-ene-1-carboxamide (PubChem CID 13197550) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-2-prop-2-enylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-2-prop-2-enylcyclohex-3-ene-1-carboxamide
PubChem CID13197550
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN,N-di(propan-2-yl)-2-prop-2-enylcyclohex-3-ene-1-carboxamide
SMILESC=CCC1C=CCCC1C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C16H27NO/c1-6-9-14-10-7-8-11-15(14)16(18)17(12(2)3)13(4)5/h6-7,10,12-15H,1,8-9,11H2,2-5H3
InChIKeyULAVRRVUYJUQRK-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.79
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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Piperidine, 1-((6-methyl-3-cyclohexen-1-yl)carbonyl)-
CID 3055356
Azepan-1-yl(cyclohex-3-en-1-yl)methanone
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(5Z,8Z,11Z,14Z)-N-Methyl-N-(1-methylethyl)-5,8,11,14-eicosatetraenamide
CID 44270427
SS-220
CID 40579125
N-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide
CID 3110817
N,N-dimethylcyclohex-3-ene-1-carboxamide
CID 12760856
2-[(1R)-cyclopent-2-en-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 39969447
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CID 40137759

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-2-prop-2-enylcyclohex-3-ene-1-carboxamide?
The IUPAC name of N,N-di(propan-2-yl)-2-prop-2-enylcyclohex-3-ene-1-carboxamide (CID 13197550) is N,N-di(propan-2-yl)-2-prop-2-enylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N,N-di(propan-2-yl)-2-prop-2-enylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for N,N-di(propan-2-yl)-2-prop-2-enylcyclohex-3-ene-1-carboxamide is C=CCC1C=CCCC1C(=O)N(C(C)C)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)-2-prop-2-enylcyclohex-3-ene-1-carboxamide?
The InChIKey is ULAVRRVUYJUQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-9-14-10-7-8-11-15(14)16(18)17(12(2)3)13(4)5/h6-7,10,12-15H,1,8-9,11H2,2-5H3.
What are the key properties of N,N-di(propan-2-yl)-2-prop-2-enylcyclohex-3-ene-1-carboxamide?
N,N-di(propan-2-yl)-2-prop-2-enylcyclohex-3-ene-1-carboxamide has a molecular weight of 249.40 g/mol, XLogP of 3.79, 5 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)-2-prop-2-enylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 13197550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).