N-(3-methylheptan-4-ylidene)hydroxylamine

C8H17NO — CID 88758606

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

About N-(3-methylheptan-4-ylidene)hydroxylamine

N-(3-methylheptan-4-ylidene)hydroxylamine (PubChem CID 88758606) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-(3-methylheptan-4-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3-methylheptan-4-ylidene)hydroxylamine
PubChem CID88758606
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-(3-methylheptan-4-ylidene)hydroxylamine
SMILESCCCC(=NO)C(C)CC
InChIInChI=1S/C8H17NO/c1-4-6-8(9-10)7(3)5-2/h7,10H,4-6H2,1-3H3
InChIKeyQZDQCGKBUDQDRC-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

(NE)-N-[(6E)-6-hydroxyimino-5-propylnonan-4-ylidene]hydroxylamine
CID 121008296
bis(N-pentan-2-ylidenehydroxylamine);N-(2-silylhexan-3-ylidene)hydroxylamine
CID 173363485
N-(3,5-dimethyloctan-4-ylidene)hydroxylamine
CID 178171758
(Z)-5-methyl-4-propylhept-3-ene
CID 145358469
3-methyloctane-4,5-dione
CID 18177714
(4E)-4-hydroxyiminohexan-3-ol
CID 22415949
diiminoazanium;3-methylheptan-4-one
CID 175383752
4-methylhexane-3-thione
CID 145030562
4-ethylidene-3-methyloctane
CID 90798217
N-(2,3,3-trimethyloctan-4-ylidene)hydroxylamine
CID 155617632
N-(5-methylheptan-2-ylidene)hydroxylamine
CID 139940320
(NZ)-N-[2-[2-[[(3Z)-3-hydroxyiminopentan-2-yl]amino]ethylamino]pentan-3-ylidene]hydroxylamine
CID 101001650

Frequently Asked Questions

What is the IUPAC name of N-(3-methylheptan-4-ylidene)hydroxylamine?
The IUPAC name of N-(3-methylheptan-4-ylidene)hydroxylamine (CID 88758606) is N-(3-methylheptan-4-ylidene)hydroxylamine.
What is the SMILES notation for N-(3-methylheptan-4-ylidene)hydroxylamine?
The canonical SMILES for N-(3-methylheptan-4-ylidene)hydroxylamine is CCCC(=NO)C(C)CC.
What is the InChIKey of N-(3-methylheptan-4-ylidene)hydroxylamine?
The InChIKey is QZDQCGKBUDQDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-6-8(9-10)7(3)5-2/h7,10H,4-6H2,1-3H3.
What are the key properties of N-(3-methylheptan-4-ylidene)hydroxylamine?
N-(3-methylheptan-4-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-(3-methylheptan-4-ylidene)hydroxylamine is sourced from PubChem (CID 88758606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).