N-[4-[(2E,4Z)-5-methylhepta-2,4,6-trienyl]cyclohexyl]formamide

C15H23NO — CID 142088055

IUPACN-[4-[(2E,4Z)-5-methylhepta-2,4,6-trienyl]cyclohexyl]formamide
SMILESC=C/C(C)=C\C=C\CC1CCC(NC=O)CC1
InChIInChI=1S/C15H23NO/c1-3-13(2)6-4-5-7-14-8-10-15(11-9-14)16-12-17/h3-6,12,14-15H,1,7-11H2,2H3,(H,16,17)/b5-4+,13-6-
InChIKeyPAQJEGGURXQNFO-XFYQWYMDSA-N
MW233.36 g/mol
LogP3.37
Rot. Bonds6

About N-[4-[(2E,4Z)-5-methylhepta-2,4,6-trienyl]cyclohexyl]formamide

N-[4-[(2E,4Z)-5-methylhepta-2,4,6-trienyl]cyclohexyl]formamide (PubChem CID 142088055) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[4-[(2E,4Z)-5-methylhepta-2,4,6-trienyl]cyclohexyl]formamide.

Molecular Properties

Compound NameN-[4-[(2E,4Z)-5-methylhepta-2,4,6-trienyl]cyclohexyl]formamide
PubChem CID142088055
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-[4-[(2E,4Z)-5-methylhepta-2,4,6-trienyl]cyclohexyl]formamide
SMILESC=C/C(C)=C\C=C\CC1CCC(NC=O)CC1
InChIInChI=1S/C15H23NO/c1-3-13(2)6-4-5-7-14-8-10-15(11-9-14)16-12-17/h3-6,12,14-15H,1,7-11H2,2H3,(H,16,17)/b5-4+,13-6-
InChIKeyPAQJEGGURXQNFO-XFYQWYMDSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2E,4Z)-5-methylhepta-2,4,6-trienyl]cyclohexyl]formamide?
The IUPAC name of N-[4-[(2E,4Z)-5-methylhepta-2,4,6-trienyl]cyclohexyl]formamide (CID 142088055) is N-[4-[(2E,4Z)-5-methylhepta-2,4,6-trienyl]cyclohexyl]formamide.
What is the SMILES notation for N-[4-[(2E,4Z)-5-methylhepta-2,4,6-trienyl]cyclohexyl]formamide?
The canonical SMILES for N-[4-[(2E,4Z)-5-methylhepta-2,4,6-trienyl]cyclohexyl]formamide is C=C/C(C)=C\C=C\CC1CCC(NC=O)CC1.
What is the InChIKey of N-[4-[(2E,4Z)-5-methylhepta-2,4,6-trienyl]cyclohexyl]formamide?
The InChIKey is PAQJEGGURXQNFO-XFYQWYMDSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-13(2)6-4-5-7-14-8-10-15(11-9-14)16-12-17/h3-6,12,14-15H,1,7-11H2,2H3,(H,16,17)/b5-4+,13-6-.
What are the key properties of N-[4-[(2E,4Z)-5-methylhepta-2,4,6-trienyl]cyclohexyl]formamide?
N-[4-[(2E,4Z)-5-methylhepta-2,4,6-trienyl]cyclohexyl]formamide has a molecular weight of 233.36 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2E,4Z)-5-methylhepta-2,4,6-trienyl]cyclohexyl]formamide is sourced from PubChem (CID 142088055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).