N-[6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5,7-trien-2-ylidene]hydroxylamine

C18H27NO — CID 72766094

IUPACN-[6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5,7-trien-2-ylidene]hydroxylamine
SMILESCC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=NO
InChIInChI=1S/C18H27NO/c1-14(8-6-10-16(3)19-20)11-12-17-15(2)9-7-13-18(17,4)5/h6,8,10-12,20H,7,9,13H2,1-5H3
InChIKeyBZRMPPLSXVTQBW-UHFFFAOYSA-N
MW273.42 g/mol
LogP5.42
Rot. Bonds4

About N-[6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5,7-trien-2-ylidene]hydroxylamine

N-[6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5,7-trien-2-ylidene]hydroxylamine (PubChem CID 72766094) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5,7-trien-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5,7-trien-2-ylidene]hydroxylamine
PubChem CID72766094
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5,7-trien-2-ylidene]hydroxylamine
SMILESCC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=NO
InChIInChI=1S/C18H27NO/c1-14(8-6-10-16(3)19-20)11-12-17-15(2)9-7-13-18(17,4)5/h6,8,10-12,20H,7,9,13H2,1-5H3
InChIKeyBZRMPPLSXVTQBW-UHFFFAOYSA-N
XLogP5.42
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.42
LogP ≤ 55.42
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5,7-trien-2-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-[6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5,7-trien-2-ylidene]hydroxylamine?
The IUPAC name of N-[6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5,7-trien-2-ylidene]hydroxylamine (CID 72766094) is N-[6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5,7-trien-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5,7-trien-2-ylidene]hydroxylamine?
The canonical SMILES for N-[6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5,7-trien-2-ylidene]hydroxylamine is CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=NO.
What is the InChIKey of N-[6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5,7-trien-2-ylidene]hydroxylamine?
The InChIKey is BZRMPPLSXVTQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-14(8-6-10-16(3)19-20)11-12-17-15(2)9-7-13-18(17,4)5/h6,8,10-12,20H,7,9,13H2,1-5H3.
What are the key properties of N-[6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5,7-trien-2-ylidene]hydroxylamine?
N-[6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5,7-trien-2-ylidene]hydroxylamine has a molecular weight of 273.42 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5,7-trien-2-ylidene]hydroxylamine is sourced from PubChem (CID 72766094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).