(NE)-N-(6-methyliminoheptan-2-ylidene)hydroxylamine

C8H16N2O — CID 169174294

IUPAC(NE)-N-(6-methyliminoheptan-2-ylidene)hydroxylamine
SMILESC/N=C(\C)CCC/C(C)=N/O
InChIInChI=1S/C8H16N2O/c1-7(9-3)5-4-6-8(2)10-11/h11H,4-6H2,1-3H3/b9-7+,10-8+
InChIKeyFKVFMMJRWRXTFW-FIFLTTCUSA-N
MW156.23 g/mol
LogP2.10
Rot. Bonds4

About (NE)-N-(6-methyliminoheptan-2-ylidene)hydroxylamine

(NE)-N-(6-methyliminoheptan-2-ylidene)hydroxylamine (PubChem CID 169174294) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (NE)-N-(6-methyliminoheptan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(6-methyliminoheptan-2-ylidene)hydroxylamine
PubChem CID169174294
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(NE)-N-(6-methyliminoheptan-2-ylidene)hydroxylamine
SMILESC/N=C(\C)CCC/C(C)=N/O
InChIInChI=1S/C8H16N2O/c1-7(9-3)5-4-6-8(2)10-11/h11H,4-6H2,1-3H3/b9-7+,10-8+
InChIKeyFKVFMMJRWRXTFW-FIFLTTCUSA-N
XLogP2.10
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(6-methyliminoheptan-2-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(6-methyliminoheptan-2-ylidene)hydroxylamine (CID 169174294) is (NE)-N-(6-methyliminoheptan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(6-methyliminoheptan-2-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(6-methyliminoheptan-2-ylidene)hydroxylamine is C/N=C(\C)CCC/C(C)=N/O.
What is the InChIKey of (NE)-N-(6-methyliminoheptan-2-ylidene)hydroxylamine?
The InChIKey is FKVFMMJRWRXTFW-FIFLTTCUSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7(9-3)5-4-6-8(2)10-11/h11H,4-6H2,1-3H3/b9-7+,10-8+.
What are the key properties of (NE)-N-(6-methyliminoheptan-2-ylidene)hydroxylamine?
(NE)-N-(6-methyliminoheptan-2-ylidene)hydroxylamine has a molecular weight of 156.23 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(6-methyliminoheptan-2-ylidene)hydroxylamine is sourced from PubChem (CID 169174294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).