(NE)-N-(5-methylheptan-3-ylidene)hydroxylamine

C8H17NO — CID 6386962

IUPAC(NE)-N-(5-methylheptan-3-ylidene)hydroxylamine
SMILESCC/C(CC(C)CC)=N\O
InChIInChI=1S/C8H17NO/c1-4-7(3)6-8(5-2)9-10/h7,10H,4-6H2,1-3H3/b9-8+
InChIKeyCBVWMGCJNPPAAR-CMDGGOBGSA-N
MW143.23 g/mol
LogP2.66
Rot. Bonds4

About (NE)-N-(5-methylheptan-3-ylidene)hydroxylamine

(NE)-N-(5-methylheptan-3-ylidene)hydroxylamine (PubChem CID 6386962) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (NE)-N-(5-methylheptan-3-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(5-methylheptan-3-ylidene)hydroxylamine
PubChem CID6386962
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(NE)-N-(5-methylheptan-3-ylidene)hydroxylamine
SMILESCC/C(CC(C)CC)=N\O
InChIInChI=1S/C8H17NO/c1-4-7(3)6-8(5-2)9-10/h7,10H,4-6H2,1-3H3/b9-8+
InChIKeyCBVWMGCJNPPAAR-CMDGGOBGSA-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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-(5-methylheptan-3-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(5-methylheptan-3-ylidene)hydroxylamine (CID 6386962) is (NE)-N-(5-methylheptan-3-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(5-methylheptan-3-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(5-methylheptan-3-ylidene)hydroxylamine is CC/C(CC(C)CC)=N\O.
What is the InChIKey of (NE)-N-(5-methylheptan-3-ylidene)hydroxylamine?
The InChIKey is CBVWMGCJNPPAAR-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-7(3)6-8(5-2)9-10/h7,10H,4-6H2,1-3H3/b9-8+.
What are the key properties of (NE)-N-(5-methylheptan-3-ylidene)hydroxylamine?
(NE)-N-(5-methylheptan-3-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 (NE)-N-(5-methylheptan-3-ylidene)hydroxylamine is sourced from PubChem (CID 6386962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).