N-[(2Z,4Z,6Z)-2,3,4-trimethylcyclododeca-2,4,6-trien-1-ylidene]hydroxylamine

C15H23NO — CID 141148731

IUPACN-[(2Z,4Z,6Z)-2,3,4-trimethylcyclododeca-2,4,6-trien-1-ylidene]hydroxylamine
SMILESCC1=C/C=C\CCCCCC(=NO)/C(C)=C\1C
InChIInChI=1S/C15H23NO/c1-12-10-8-6-4-5-7-9-11-15(16-17)14(3)13(12)2/h6,8,10,17H,4-5,7,9,11H2,1-3H3/b8-6-,12-10-,14-13-,16-15?
InChIKeyZTCRFVAZUMZFAT-KAHCFUCNSA-N
MW233.36 g/mol
LogP4.62
Rot. Bonds

About N-[(2Z,4Z,6Z)-2,3,4-trimethylcyclododeca-2,4,6-trien-1-ylidene]hydroxylamine

N-[(2Z,4Z,6Z)-2,3,4-trimethylcyclododeca-2,4,6-trien-1-ylidene]hydroxylamine (PubChem CID 141148731) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[(2Z,4Z,6Z)-2,3,4-trimethylcyclododeca-2,4,6-trien-1-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2Z,4Z,6Z)-2,3,4-trimethylcyclododeca-2,4,6-trien-1-ylidene]hydroxylamine
PubChem CID141148731
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-[(2Z,4Z,6Z)-2,3,4-trimethylcyclododeca-2,4,6-trien-1-ylidene]hydroxylamine
SMILESCC1=C/C=C\CCCCCC(=NO)/C(C)=C\1C
InChIInChI=1S/C15H23NO/c1-12-10-8-6-4-5-7-9-11-15(16-17)14(3)13(12)2/h6,8,10,17H,4-5,7,9,11H2,1-3H3/b8-6-,12-10-,14-13-,16-15?
InChIKeyZTCRFVAZUMZFAT-KAHCFUCNSA-N
XLogP4.62
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2Z,4Z,6Z)-2,3,4-trimethylcyclododeca-2,4,6-trien-1-ylidene]hydroxylamine 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-[(2Z,4Z,6Z)-2,3,4-trimethylcyclododeca-2,4,6-trien-1-ylidene]hydroxylamine?
The IUPAC name of N-[(2Z,4Z,6Z)-2,3,4-trimethylcyclododeca-2,4,6-trien-1-ylidene]hydroxylamine (CID 141148731) is N-[(2Z,4Z,6Z)-2,3,4-trimethylcyclododeca-2,4,6-trien-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[(2Z,4Z,6Z)-2,3,4-trimethylcyclododeca-2,4,6-trien-1-ylidene]hydroxylamine?
The canonical SMILES for N-[(2Z,4Z,6Z)-2,3,4-trimethylcyclododeca-2,4,6-trien-1-ylidene]hydroxylamine is CC1=C/C=C\CCCCCC(=NO)/C(C)=C\1C.
What is the InChIKey of N-[(2Z,4Z,6Z)-2,3,4-trimethylcyclododeca-2,4,6-trien-1-ylidene]hydroxylamine?
The InChIKey is ZTCRFVAZUMZFAT-KAHCFUCNSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-10-8-6-4-5-7-9-11-15(16-17)14(3)13(12)2/h6,8,10,17H,4-5,7,9,11H2,1-3H3/b8-6-,12-10-,14-13-,16-15?.
What are the key properties of N-[(2Z,4Z,6Z)-2,3,4-trimethylcyclododeca-2,4,6-trien-1-ylidene]hydroxylamine?
N-[(2Z,4Z,6Z)-2,3,4-trimethylcyclododeca-2,4,6-trien-1-ylidene]hydroxylamine has a molecular weight of 233.36 g/mol, XLogP of 4.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z,6Z)-2,3,4-trimethylcyclododeca-2,4,6-trien-1-ylidene]hydroxylamine is sourced from PubChem (CID 141148731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).