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

C18H29NO — CID 72766119

IUPACN-[6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5-dien-2-ylidene]hydroxylamine
SMILESCC(=CC=CC(C)=NO)CCC1=C(C)CCCC1(C)C
InChIInChI=1S/C18H29NO/c1-14(8-6-10-16(3)19-20)11-12-17-15(2)9-7-13-18(17,4)5/h6,8,10,20H,7,9,11-13H2,1-5H3
InChIKeyBJFYQWABTQWNNI-UHFFFAOYSA-N
MW275.44 g/mol
LogP5.65
Rot. Bonds5

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

N-[6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5-dien-2-ylidene]hydroxylamine (PubChem CID 72766119) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5-dien-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5-dien-2-ylidene]hydroxylamine
PubChem CID72766119
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5-dien-2-ylidene]hydroxylamine
SMILESCC(=CC=CC(C)=NO)CCC1=C(C)CCCC1(C)C
InChIInChI=1S/C18H29NO/c1-14(8-6-10-16(3)19-20)11-12-17-15(2)9-7-13-18(17,4)5/h6,8,10,20H,7,9,11-13H2,1-5H3
InChIKeyBJFYQWABTQWNNI-UHFFFAOYSA-N
XLogP5.65
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.44
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5-dien-2-ylidene]hydroxylamine?
The IUPAC name of N-[6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5-dien-2-ylidene]hydroxylamine (CID 72766119) is N-[6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5-dien-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5-dien-2-ylidene]hydroxylamine?
The canonical SMILES for N-[6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5-dien-2-ylidene]hydroxylamine is CC(=CC=CC(C)=NO)CCC1=C(C)CCCC1(C)C.
What is the InChIKey of N-[6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5-dien-2-ylidene]hydroxylamine?
The InChIKey is BJFYQWABTQWNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14(8-6-10-16(3)19-20)11-12-17-15(2)9-7-13-18(17,4)5/h6,8,10,20H,7,9,11-13H2,1-5H3.
What are the key properties of N-[6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5-dien-2-ylidene]hydroxylamine?
N-[6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5-dien-2-ylidene]hydroxylamine has a molecular weight of 275.44 g/mol, XLogP of 5.65, 5 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-dien-2-ylidene]hydroxylamine is sourced from PubChem (CID 72766119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).