N-methyl-N-penta-1,3-dien-3-ylcyclohexanecarboxamide

C13H21NO — CID 123818181

IUPACN-methyl-N-penta-1,3-dien-3-ylcyclohexanecarboxamide
SMILESC=CC(=CC)N(C)C(=O)C1CCCCC1
InChIInChI=1S/C13H21NO/c1-4-12(5-2)14(3)13(15)11-9-7-6-8-10-11/h4-5,11H,1,6-10H2,2-3H3
InChIKeyUQKNBFMWGJNHHW-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.11
Rot. Bonds3

About N-methyl-N-penta-1,3-dien-3-ylcyclohexanecarboxamide

N-methyl-N-penta-1,3-dien-3-ylcyclohexanecarboxamide (PubChem CID 123818181) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-methyl-N-penta-1,3-dien-3-ylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-penta-1,3-dien-3-ylcyclohexanecarboxamide
PubChem CID123818181
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-methyl-N-penta-1,3-dien-3-ylcyclohexanecarboxamide
SMILESC=CC(=CC)N(C)C(=O)C1CCCCC1
InChIInChI=1S/C13H21NO/c1-4-12(5-2)14(3)13(15)11-9-7-6-8-10-11/h4-5,11H,1,6-10H2,2-3H3
InChIKeyUQKNBFMWGJNHHW-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(prop-2-enyl)cyclohexanecarboxamide
CID 3284137
N-propan-2-yl-N-prop-2-enylcyclohexanecarboxamide
CID 18337142
N-ethyl-N-prop-2-enylcyclohexanecarboxamide
CID 84559695
N-hexa-1,3,5-trien-3-yl-N-methylcyclohexanecarboxamide
CID 123145825
N-hepta-1,3-dien-4-yl-N-methylcyclohexanecarboxamide
CID 123191665
N-methyl-N-pent-2-en-3-ylcyclohexanecarboxamide
CID 123194156
N-methyl-N-octa-2,4,6-trien-4-ylcyclohexanecarboxamide
CID 123298661
2-cyclopentyl-N-hexa-1,3,5-trien-3-yl-N-methylacetamide
CID 123622647
N-methyl-N-pent-2-en-2-ylcyclohexanecarboxamide
CID 123740265
2-ethyl-N-hexa-1,3,5-trien-3-yl-N-methylbutanamide
CID 123902621
N-but-2-en-2-yl-N-methylcyclohexanecarboxamide
CID 123979449
N-[(E)-hex-3-en-3-yl]-N-methylcyclohexanecarboxamide
CID 129120710

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-penta-1,3-dien-3-ylcyclohexanecarboxamide?
The IUPAC name of N-methyl-N-penta-1,3-dien-3-ylcyclohexanecarboxamide (CID 123818181) is N-methyl-N-penta-1,3-dien-3-ylcyclohexanecarboxamide.
What is the SMILES notation for N-methyl-N-penta-1,3-dien-3-ylcyclohexanecarboxamide?
The canonical SMILES for N-methyl-N-penta-1,3-dien-3-ylcyclohexanecarboxamide is C=CC(=CC)N(C)C(=O)C1CCCCC1.
What is the InChIKey of N-methyl-N-penta-1,3-dien-3-ylcyclohexanecarboxamide?
The InChIKey is UQKNBFMWGJNHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-12(5-2)14(3)13(15)11-9-7-6-8-10-11/h4-5,11H,1,6-10H2,2-3H3.
What are the key properties of N-methyl-N-penta-1,3-dien-3-ylcyclohexanecarboxamide?
N-methyl-N-penta-1,3-dien-3-ylcyclohexanecarboxamide has a molecular weight of 207.32 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-penta-1,3-dien-3-ylcyclohexanecarboxamide is sourced from PubChem (CID 123818181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).