N-(2,6-dimethylhept-5-enylidene)hydroxylamine

C9H17NO — CID 85369167

IUPACN-(2,6-dimethylhept-5-enylidene)hydroxylamine
SMILESCC(C)=CCCC(C)C=NO
InChIInChI=1S/C9H17NO/c1-8(2)5-4-6-9(3)7-10-11/h5,7,9,11H,4,6H2,1-3H3
InChIKeyFGXYSBZCVIMBMS-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.83
Rot. Bonds4

About N-(2,6-dimethylhept-5-enylidene)hydroxylamine

N-(2,6-dimethylhept-5-enylidene)hydroxylamine (PubChem CID 85369167) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-(2,6-dimethylhept-5-enylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2,6-dimethylhept-5-enylidene)hydroxylamine
PubChem CID85369167
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-(2,6-dimethylhept-5-enylidene)hydroxylamine
SMILESCC(C)=CCCC(C)C=NO
InChIInChI=1S/C9H17NO/c1-8(2)5-4-6-9(3)7-10-11/h5,7,9,11H,4,6H2,1-3H3
InChIKeyFGXYSBZCVIMBMS-UHFFFAOYSA-N
XLogP2.83
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.83
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'}

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Related Compounds

Perillartine
CID 5365782
2,6-Octadienal, 3,7-dimethyl-, oxime
CID 9571280
6-Octenal, 3,7-dimethyl-, oxime
CID 89723
(E)-all-trans-3,7,11-Trimethyl-2,6,10-dodecatriene-1-aldoxime
CID 5365884
1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-, oxime
CID 95313
Citral oxime
CID 5459185
3,7-Dimethyloct-6-enal oxime
CID 5382814
(NE)-N-[(4-methylcyclohexen-1-yl)methylidene]hydroxylamine
CID 15129512
(NE)-N-[(4-propan-2-ylcyclohexa-1,4-dien-1-yl)methylidene]hydroxylamine
CID 44336271
N-(3,7-dimethylocta-2,6-dienylidene)hydroxylamine
CID 114644
(NE)-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylidene]hydroxylamine
CID 25319874
Cyclohex-3-enecarboxaldehyde, 2,4,6-trimethyl-, oxime
CID 9590647

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylhept-5-enylidene)hydroxylamine?
The IUPAC name of N-(2,6-dimethylhept-5-enylidene)hydroxylamine (CID 85369167) is N-(2,6-dimethylhept-5-enylidene)hydroxylamine.
What is the SMILES notation for N-(2,6-dimethylhept-5-enylidene)hydroxylamine?
The canonical SMILES for N-(2,6-dimethylhept-5-enylidene)hydroxylamine is CC(C)=CCCC(C)C=NO.
What is the InChIKey of N-(2,6-dimethylhept-5-enylidene)hydroxylamine?
The InChIKey is FGXYSBZCVIMBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)5-4-6-9(3)7-10-11/h5,7,9,11H,4,6H2,1-3H3.
What are the key properties of N-(2,6-dimethylhept-5-enylidene)hydroxylamine?
N-(2,6-dimethylhept-5-enylidene)hydroxylamine has a molecular weight of 155.24 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylhept-5-enylidene)hydroxylamine is sourced from PubChem (CID 85369167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).