N-hepta-1,3-dien-4-yl-N-methylcyclohexanecarboxamide

C15H25NO — CID 123191665

IUPACN-hepta-1,3-dien-4-yl-N-methylcyclohexanecarboxamide
SMILESC=CC=C(CCC)N(C)C(=O)C1CCCCC1
InChIInChI=1S/C15H25NO/c1-4-9-14(10-5-2)16(3)15(17)13-11-7-6-8-12-13/h4,9,13H,1,5-8,10-12H2,2-3H3
InChIKeyPCJWAJRGRYGADR-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.90
Rot. Bonds5

About N-hepta-1,3-dien-4-yl-N-methylcyclohexanecarboxamide

N-hepta-1,3-dien-4-yl-N-methylcyclohexanecarboxamide (PubChem CID 123191665) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-hepta-1,3-dien-4-yl-N-methylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-hepta-1,3-dien-4-yl-N-methylcyclohexanecarboxamide
PubChem CID123191665
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-hepta-1,3-dien-4-yl-N-methylcyclohexanecarboxamide
SMILESC=CC=C(CCC)N(C)C(=O)C1CCCCC1
InChIInChI=1S/C15H25NO/c1-4-9-14(10-5-2)16(3)15(17)13-11-7-6-8-12-13/h4,9,13H,1,5-8,10-12H2,2-3H3
InChIKeyPCJWAJRGRYGADR-UHFFFAOYSA-N
XLogP3.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hepta-1,3-dien-4-yl-N-methylcyclohexanecarboxamide?
The IUPAC name of N-hepta-1,3-dien-4-yl-N-methylcyclohexanecarboxamide (CID 123191665) is N-hepta-1,3-dien-4-yl-N-methylcyclohexanecarboxamide.
What is the SMILES notation for N-hepta-1,3-dien-4-yl-N-methylcyclohexanecarboxamide?
The canonical SMILES for N-hepta-1,3-dien-4-yl-N-methylcyclohexanecarboxamide is C=CC=C(CCC)N(C)C(=O)C1CCCCC1.
What is the InChIKey of N-hepta-1,3-dien-4-yl-N-methylcyclohexanecarboxamide?
The InChIKey is PCJWAJRGRYGADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-9-14(10-5-2)16(3)15(17)13-11-7-6-8-12-13/h4,9,13H,1,5-8,10-12H2,2-3H3.
What are the key properties of N-hepta-1,3-dien-4-yl-N-methylcyclohexanecarboxamide?
N-hepta-1,3-dien-4-yl-N-methylcyclohexanecarboxamide has a molecular weight of 235.37 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hepta-1,3-dien-4-yl-N-methylcyclohexanecarboxamide is sourced from PubChem (CID 123191665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).