(NE)-N-[(E)-2-ethylhex-2-enylidene]hydroxylamine

C8H15NO — CID 5357072

IUPAC(NE)-N-[(E)-2-ethylhex-2-enylidene]hydroxylamine
SMILESCCC/C=C(/C=N/O)CC
InChIInChI=1S/C8H15NO/c1-3-5-6-8(4-2)7-9-10/h6-7,10H,3-5H2,1-2H3/b8-6+,9-7+
InChIKeyCTNKJNOPRVVGJP-CDJQDVQCSA-N
MW141.21 g/mol
LogP2.58
Rot. Bonds4

About (NE)-N-[(E)-2-ethylhex-2-enylidene]hydroxylamine

(NE)-N-[(E)-2-ethylhex-2-enylidene]hydroxylamine (PubChem CID 5357072) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (NE)-N-[(E)-2-ethylhex-2-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(E)-2-ethylhex-2-enylidene]hydroxylamine
PubChem CID5357072
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(NE)-N-[(E)-2-ethylhex-2-enylidene]hydroxylamine
SMILESCCC/C=C(/C=N/O)CC
InChIInChI=1S/C8H15NO/c1-3-5-6-8(4-2)7-9-10/h6-7,10H,3-5H2,1-2H3/b8-6+,9-7+
InChIKeyCTNKJNOPRVVGJP-CDJQDVQCSA-N
XLogP2.58
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.58
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

(E)-2-ethyl-N-prop-1-enylhex-2-en-1-imine
CID 177356967
[(Z)-[(Z)-2-ethylhex-2-enylidene]amino]thiourea
CID 92531930
(E)-2-ethyl-N-pyrimidin-2-ylhex-2-en-1-imine
CID 40610634
5-ethyltetradeca-4,6-diene
CID 91339198
1-hydroxyiminopentan-2-one
CID 6410471
3-ethyl-2,2-dimethylhept-3-ene
CID 54053277
pent-1-ene-1,1-diol
CID 21473005
1-bromo-1-chloropent-1-ene
CID 535956
CID 154668407
CID 154668407
tetrakis(3-methanidylhept-3-ene);titanium(4+)
CID 173169772
(E)-4-bromooct-4-ene
CID 13093303
5-ethylnona-1,5-diene
CID 54516473

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(E)-2-ethylhex-2-enylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(E)-2-ethylhex-2-enylidene]hydroxylamine (CID 5357072) is (NE)-N-[(E)-2-ethylhex-2-enylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(E)-2-ethylhex-2-enylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(E)-2-ethylhex-2-enylidene]hydroxylamine is CCC/C=C(/C=N/O)CC.
What is the InChIKey of (NE)-N-[(E)-2-ethylhex-2-enylidene]hydroxylamine?
The InChIKey is CTNKJNOPRVVGJP-CDJQDVQCSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-5-6-8(4-2)7-9-10/h6-7,10H,3-5H2,1-2H3/b8-6+,9-7+.
What are the key properties of (NE)-N-[(E)-2-ethylhex-2-enylidene]hydroxylamine?
(NE)-N-[(E)-2-ethylhex-2-enylidene]hydroxylamine has a molecular weight of 141.21 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(E)-2-ethylhex-2-enylidene]hydroxylamine is sourced from PubChem (CID 5357072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).