N-(5-methylheptan-2-ylidene)hydroxylamine

C8H17NO — CID 139940320

IUPACN-(5-methylheptan-2-ylidene)hydroxylamine
SMILESCCC(C)CCC(C)=NO
InChIInChI=1S/C8H17NO/c1-4-7(2)5-6-8(3)9-10/h7,10H,4-6H2,1-3H3
InChIKeyLZWVHKKCILCDQG-UHFFFAOYSA-N
MW143.23 g/mol
LogP2.66
Rot. Bonds4

About N-(5-methylheptan-2-ylidene)hydroxylamine

N-(5-methylheptan-2-ylidene)hydroxylamine (PubChem CID 139940320) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-(5-methylheptan-2-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(5-methylheptan-2-ylidene)hydroxylamine
PubChem CID139940320
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-(5-methylheptan-2-ylidene)hydroxylamine
SMILESCCC(C)CCC(C)=NO
InChIInChI=1S/C8H17NO/c1-4-7(2)5-6-8(3)9-10/h7,10H,4-6H2,1-3H3
InChIKeyLZWVHKKCILCDQG-UHFFFAOYSA-N
XLogP2.66
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.66
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'}

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Related Compounds

2,7-dimethylnon-1-ene
CID 123682074
N-(4-methylhexylidene)hydroxylamine
CID 163845285
8-methyldecane-4,5-dione
CID 141348222
3-methylhexane;2-methylprop-1-ene
CID 165405684
bis(N-pentan-2-ylidenehydroxylamine);N-(2-silylhexan-3-ylidene)hydroxylamine
CID 173363485
N-butan-2-ylidenehydroxylamine
CID 7292
(3R,7R)-3,7-dimethylnonane
CID 42626759
(3R,4E,7R)-4-ethylidene-7-methylnonan-3-ol
CID 88943325
5,9-dimethylundecan-2-imine
CID 163570105
bromo 4-methylhexanoate
CID 174730777
N-(hydroxymethyl)-4-methylhexanamide
CID 88779870
6,10-dimethyldodecan-2-one
CID 14707953

Frequently Asked Questions

What is the IUPAC name of N-(5-methylheptan-2-ylidene)hydroxylamine?
The IUPAC name of N-(5-methylheptan-2-ylidene)hydroxylamine (CID 139940320) is N-(5-methylheptan-2-ylidene)hydroxylamine.
What is the SMILES notation for N-(5-methylheptan-2-ylidene)hydroxylamine?
The canonical SMILES for N-(5-methylheptan-2-ylidene)hydroxylamine is CCC(C)CCC(C)=NO.
What is the InChIKey of N-(5-methylheptan-2-ylidene)hydroxylamine?
The InChIKey is LZWVHKKCILCDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-7(2)5-6-8(3)9-10/h7,10H,4-6H2,1-3H3.
What are the key properties of N-(5-methylheptan-2-ylidene)hydroxylamine?
N-(5-methylheptan-2-ylidene)hydroxylamine has a molecular weight of 143.23 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylheptan-2-ylidene)hydroxylamine is sourced from PubChem (CID 139940320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).