N,2-dimethyl-N-propan-2-ylhexa-3,5-dienamide

C11H19NO — CID 170076564

IUPACN,2-dimethyl-N-propan-2-ylhexa-3,5-dienamide
SMILESC=CC=CC(C)C(=O)N(C)C(C)C
InChIInChI=1S/C11H19NO/c1-6-7-8-10(4)11(13)12(5)9(2)3/h6-10H,1H2,2-5H3
InChIKeyNJFTYGWVFBIXTR-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.23
Rot. Bonds4

About N,2-dimethyl-N-propan-2-ylhexa-3,5-dienamide

N,2-dimethyl-N-propan-2-ylhexa-3,5-dienamide (PubChem CID 170076564) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N,2-dimethyl-N-propan-2-ylhexa-3,5-dienamide.

Molecular Properties

Compound NameN,2-dimethyl-N-propan-2-ylhexa-3,5-dienamide
PubChem CID170076564
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN,2-dimethyl-N-propan-2-ylhexa-3,5-dienamide
SMILESC=CC=CC(C)C(=O)N(C)C(C)C
InChIInChI=1S/C11H19NO/c1-6-7-8-10(4)11(13)12(5)9(2)3/h6-10H,1H2,2-5H3
InChIKeyNJFTYGWVFBIXTR-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.23
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,2-dimethyl-N-propan-2-ylhexa-3,5-dienamide?
The IUPAC name of N,2-dimethyl-N-propan-2-ylhexa-3,5-dienamide (CID 170076564) is N,2-dimethyl-N-propan-2-ylhexa-3,5-dienamide.
What is the SMILES notation for N,2-dimethyl-N-propan-2-ylhexa-3,5-dienamide?
The canonical SMILES for N,2-dimethyl-N-propan-2-ylhexa-3,5-dienamide is C=CC=CC(C)C(=O)N(C)C(C)C.
What is the InChIKey of N,2-dimethyl-N-propan-2-ylhexa-3,5-dienamide?
The InChIKey is NJFTYGWVFBIXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-6-7-8-10(4)11(13)12(5)9(2)3/h6-10H,1H2,2-5H3.
What are the key properties of N,2-dimethyl-N-propan-2-ylhexa-3,5-dienamide?
N,2-dimethyl-N-propan-2-ylhexa-3,5-dienamide has a molecular weight of 181.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-propan-2-ylhexa-3,5-dienamide is sourced from PubChem (CID 170076564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).