(NE)-N-[(6E)-6-hydroxyimino-5-propylnonan-4-ylidene]hydroxylamine

C12H24N2O2 — CID 121008296

IUPAC(NE)-N-[(6E)-6-hydroxyimino-5-propylnonan-4-ylidene]hydroxylamine
SMILESCCC/C(=N\O)C(CCC)/C(CCC)=N/O
InChIInChI=1S/C12H24N2O2/c1-4-7-10(11(13-15)8-5-2)12(14-16)9-6-3/h10,15-16H,4-9H2,1-3H3/b13-11+,14-12+
InChIKeyORFYHCLERQOGCU-PHEQNACWSA-N
MW228.34 g/mol
LogP3.66
Rot. Bonds8

About (NE)-N-[(6E)-6-hydroxyimino-5-propylnonan-4-ylidene]hydroxylamine

(NE)-N-[(6E)-6-hydroxyimino-5-propylnonan-4-ylidene]hydroxylamine (PubChem CID 121008296) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (NE)-N-[(6E)-6-hydroxyimino-5-propylnonan-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(6E)-6-hydroxyimino-5-propylnonan-4-ylidene]hydroxylamine
PubChem CID121008296
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(NE)-N-[(6E)-6-hydroxyimino-5-propylnonan-4-ylidene]hydroxylamine
SMILESCCC/C(=N\O)C(CCC)/C(CCC)=N/O
InChIInChI=1S/C12H24N2O2/c1-4-7-10(11(13-15)8-5-2)12(14-16)9-6-3/h10,15-16H,4-9H2,1-3H3/b13-11+,14-12+
InChIKeyORFYHCLERQOGCU-PHEQNACWSA-N
XLogP3.66
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-(3-methylheptan-4-ylidene)hydroxylamine
CID 88758606
bis(N-pentan-2-ylidenehydroxylamine);N-(2-silylhexan-3-ylidene)hydroxylamine
CID 173363485
(4R,5R)-octane-4,5-diamine
CID 13138963
N-(3,5-dimethyloctan-4-ylidene)hydroxylamine
CID 178171758
(4S,5Z,7E,9E,11R)-tetradeca-5,7,9-triene-4,11-diol
CID 170250028
(4E)-4-hydroxyiminohexan-3-ol
CID 22415949
N'-hydroxy-3-methylhexanimidamide
CID 76589131
11-propylhenicosane-10,12-dione
CID 57313364
2-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxypentanimidamide
CID 79181074
4,5-diaminooctan-1-ol
CID 87063615
N-nonan-4-ylidenehydroxylamine;hydrochloride
CID 86742675
lithium;potassium;2-propylpropanedioate
CID 139411515

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(6E)-6-hydroxyimino-5-propylnonan-4-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(6E)-6-hydroxyimino-5-propylnonan-4-ylidene]hydroxylamine (CID 121008296) is (NE)-N-[(6E)-6-hydroxyimino-5-propylnonan-4-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(6E)-6-hydroxyimino-5-propylnonan-4-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(6E)-6-hydroxyimino-5-propylnonan-4-ylidene]hydroxylamine is CCC/C(=N\O)C(CCC)/C(CCC)=N/O.
What is the InChIKey of (NE)-N-[(6E)-6-hydroxyimino-5-propylnonan-4-ylidene]hydroxylamine?
The InChIKey is ORFYHCLERQOGCU-PHEQNACWSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-7-10(11(13-15)8-5-2)12(14-16)9-6-3/h10,15-16H,4-9H2,1-3H3/b13-11+,14-12+.
What are the key properties of (NE)-N-[(6E)-6-hydroxyimino-5-propylnonan-4-ylidene]hydroxylamine?
(NE)-N-[(6E)-6-hydroxyimino-5-propylnonan-4-ylidene]hydroxylamine has a molecular weight of 228.34 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(6E)-6-hydroxyimino-5-propylnonan-4-ylidene]hydroxylamine is sourced from PubChem (CID 121008296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).