N-[(5E)-6-aminohepta-1,5-dien-3-yl]cyclohexanecarboxamide

C14H24N2O — CID 89209492

IUPACN-[(5E)-6-aminohepta-1,5-dien-3-yl]cyclohexanecarboxamide
SMILESC=CC(C/C=C(\C)N)NC(=O)C1CCCCC1
InChIInChI=1S/C14H24N2O/c1-3-13(10-9-11(2)15)16-14(17)12-7-5-4-6-8-12/h3,9,12-13H,1,4-8,10,15H2,2H3,(H,16,17)/b11-9+
InChIKeyFAZXSEQPQHNDPE-PKNBQFBNSA-N
MW236.36 g/mol
LogP2.49
Rot. Bonds5

About N-[(5E)-6-aminohepta-1,5-dien-3-yl]cyclohexanecarboxamide

N-[(5E)-6-aminohepta-1,5-dien-3-yl]cyclohexanecarboxamide (PubChem CID 89209492) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(5E)-6-aminohepta-1,5-dien-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(5E)-6-aminohepta-1,5-dien-3-yl]cyclohexanecarboxamide
PubChem CID89209492
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[(5E)-6-aminohepta-1,5-dien-3-yl]cyclohexanecarboxamide
SMILESC=CC(C/C=C(\C)N)NC(=O)C1CCCCC1
InChIInChI=1S/C14H24N2O/c1-3-13(10-9-11(2)15)16-14(17)12-7-5-4-6-8-12/h3,9,12-13H,1,4-8,10,15H2,2H3,(H,16,17)/b11-9+
InChIKeyFAZXSEQPQHNDPE-PKNBQFBNSA-N
XLogP2.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(5E)-6-aminohepta-1,5-dien-3-yl]cyclohexanecarboxamide 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-[(5E)-6-aminohepta-1,5-dien-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(5E)-6-aminohepta-1,5-dien-3-yl]cyclohexanecarboxamide (CID 89209492) is N-[(5E)-6-aminohepta-1,5-dien-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(5E)-6-aminohepta-1,5-dien-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(5E)-6-aminohepta-1,5-dien-3-yl]cyclohexanecarboxamide is C=CC(C/C=C(\C)N)NC(=O)C1CCCCC1.
What is the InChIKey of N-[(5E)-6-aminohepta-1,5-dien-3-yl]cyclohexanecarboxamide?
The InChIKey is FAZXSEQPQHNDPE-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-13(10-9-11(2)15)16-14(17)12-7-5-4-6-8-12/h3,9,12-13H,1,4-8,10,15H2,2H3,(H,16,17)/b11-9+.
What are the key properties of N-[(5E)-6-aminohepta-1,5-dien-3-yl]cyclohexanecarboxamide?
N-[(5E)-6-aminohepta-1,5-dien-3-yl]cyclohexanecarboxamide has a molecular weight of 236.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5E)-6-aminohepta-1,5-dien-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 89209492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).