N-[1-methyl-4-[(2E,4E)-6-methylhepta-2,4-dien-2-yl]cyclohexyl]formamide

C16H27NO — CID 5387261

IUPACN-[1-methyl-4-[(2E,4E)-6-methylhepta-2,4-dien-2-yl]cyclohexyl]formamide
SMILESC/C(=C\C=C\C(C)C)C1CCC(C)(NC=O)CC1
InChIInChI=1S/C16H27NO/c1-13(2)6-5-7-14(3)15-8-10-16(4,11-9-15)17-12-18/h5-7,12-13,15H,8-11H2,1-4H3,(H,17,18)/b6-5+,14-7+
InChIKeyUTOXGRXZEVOUFE-AVJLEEFCSA-N
MW249.40 g/mol
LogP3.84
Rot. Bonds5

About N-[1-methyl-4-[(2E,4E)-6-methylhepta-2,4-dien-2-yl]cyclohexyl]formamide

N-[1-methyl-4-[(2E,4E)-6-methylhepta-2,4-dien-2-yl]cyclohexyl]formamide (PubChem CID 5387261) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[1-methyl-4-[(2E,4E)-6-methylhepta-2,4-dien-2-yl]cyclohexyl]formamide.

Molecular Properties

Compound NameN-[1-methyl-4-[(2E,4E)-6-methylhepta-2,4-dien-2-yl]cyclohexyl]formamide
PubChem CID5387261
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[1-methyl-4-[(2E,4E)-6-methylhepta-2,4-dien-2-yl]cyclohexyl]formamide
SMILESC/C(=C\C=C\C(C)C)C1CCC(C)(NC=O)CC1
InChIInChI=1S/C16H27NO/c1-13(2)6-5-7-14(3)15-8-10-16(4,11-9-15)17-12-18/h5-7,12-13,15H,8-11H2,1-4H3,(H,17,18)/b6-5+,14-7+
InChIKeyUTOXGRXZEVOUFE-AVJLEEFCSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.84
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'}

Analyze N-[1-methyl-4-[(2E,4E)-6-methylhepta-2,4-dien-2-yl]cyclohexyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-4-[(2E,4E)-6-methylhepta-2,4-dien-2-yl]cyclohexyl]formamide?
The IUPAC name of N-[1-methyl-4-[(2E,4E)-6-methylhepta-2,4-dien-2-yl]cyclohexyl]formamide (CID 5387261) is N-[1-methyl-4-[(2E,4E)-6-methylhepta-2,4-dien-2-yl]cyclohexyl]formamide.
What is the SMILES notation for N-[1-methyl-4-[(2E,4E)-6-methylhepta-2,4-dien-2-yl]cyclohexyl]formamide?
The canonical SMILES for N-[1-methyl-4-[(2E,4E)-6-methylhepta-2,4-dien-2-yl]cyclohexyl]formamide is C/C(=C\C=C\C(C)C)C1CCC(C)(NC=O)CC1.
What is the InChIKey of N-[1-methyl-4-[(2E,4E)-6-methylhepta-2,4-dien-2-yl]cyclohexyl]formamide?
The InChIKey is UTOXGRXZEVOUFE-AVJLEEFCSA-N. The full InChI is InChI=1S/C16H27NO/c1-13(2)6-5-7-14(3)15-8-10-16(4,11-9-15)17-12-18/h5-7,12-13,15H,8-11H2,1-4H3,(H,17,18)/b6-5+,14-7+.
What are the key properties of N-[1-methyl-4-[(2E,4E)-6-methylhepta-2,4-dien-2-yl]cyclohexyl]formamide?
N-[1-methyl-4-[(2E,4E)-6-methylhepta-2,4-dien-2-yl]cyclohexyl]formamide has a molecular weight of 249.40 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-4-[(2E,4E)-6-methylhepta-2,4-dien-2-yl]cyclohexyl]formamide is sourced from PubChem (CID 5387261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).