N-hexa-1,3,5-trien-3-yl-N-methylcyclohexanecarboxamide

C14H21NO — CID 123145825

IUPACN-hexa-1,3,5-trien-3-yl-N-methylcyclohexanecarboxamide
SMILESC=CC=C(C=C)N(C)C(=O)C1CCCCC1
InChIInChI=1S/C14H21NO/c1-4-9-13(5-2)15(3)14(16)12-10-7-6-8-11-12/h4-5,9,12H,1-2,6-8,10-11H2,3H3
InChIKeyKZBHWWDXMVNKQE-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.28
Rot. Bonds4

About N-hexa-1,3,5-trien-3-yl-N-methylcyclohexanecarboxamide

N-hexa-1,3,5-trien-3-yl-N-methylcyclohexanecarboxamide (PubChem CID 123145825) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-hexa-1,3,5-trien-3-yl-N-methylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-hexa-1,3,5-trien-3-yl-N-methylcyclohexanecarboxamide
PubChem CID123145825
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-hexa-1,3,5-trien-3-yl-N-methylcyclohexanecarboxamide
SMILESC=CC=C(C=C)N(C)C(=O)C1CCCCC1
InChIInChI=1S/C14H21NO/c1-4-9-13(5-2)15(3)14(16)12-10-7-6-8-11-12/h4-5,9,12H,1-2,6-8,10-11H2,3H3
InChIKeyKZBHWWDXMVNKQE-UHFFFAOYSA-N
XLogP3.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.28
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-hexa-1,3,5-trien-3-yl-N-methylcyclohexanecarboxamide?
The IUPAC name of N-hexa-1,3,5-trien-3-yl-N-methylcyclohexanecarboxamide (CID 123145825) is N-hexa-1,3,5-trien-3-yl-N-methylcyclohexanecarboxamide.
What is the SMILES notation for N-hexa-1,3,5-trien-3-yl-N-methylcyclohexanecarboxamide?
The canonical SMILES for N-hexa-1,3,5-trien-3-yl-N-methylcyclohexanecarboxamide is C=CC=C(C=C)N(C)C(=O)C1CCCCC1.
What is the InChIKey of N-hexa-1,3,5-trien-3-yl-N-methylcyclohexanecarboxamide?
The InChIKey is KZBHWWDXMVNKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-9-13(5-2)15(3)14(16)12-10-7-6-8-11-12/h4-5,9,12H,1-2,6-8,10-11H2,3H3.
What are the key properties of N-hexa-1,3,5-trien-3-yl-N-methylcyclohexanecarboxamide?
N-hexa-1,3,5-trien-3-yl-N-methylcyclohexanecarboxamide has a molecular weight of 219.33 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexa-1,3,5-trien-3-yl-N-methylcyclohexanecarboxamide is sourced from PubChem (CID 123145825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).