(NE)-N-[(6E)-2,4,4-trimethylnona-6,8-dien-3-ylidene]hydroxylamine

C12H21NO — CID 6365982

IUPAC(NE)-N-[(6E)-2,4,4-trimethylnona-6,8-dien-3-ylidene]hydroxylamine
SMILESC=C/C=C/CC(C)(C)/C(=N/O)C(C)C
InChIInChI=1S/C12H21NO/c1-6-7-8-9-12(4,5)11(13-14)10(2)3/h6-8,10,14H,1,9H2,2-5H3/b8-7+,13-11+
InChIKeyJZVFMABEZCKLSU-IGOCJVNJSA-N
MW195.31 g/mol
LogP3.63
Rot. Bonds5

About (NE)-N-[(6E)-2,4,4-trimethylnona-6,8-dien-3-ylidene]hydroxylamine

(NE)-N-[(6E)-2,4,4-trimethylnona-6,8-dien-3-ylidene]hydroxylamine (PubChem CID 6365982) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (NE)-N-[(6E)-2,4,4-trimethylnona-6,8-dien-3-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(6E)-2,4,4-trimethylnona-6,8-dien-3-ylidene]hydroxylamine
PubChem CID6365982
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(NE)-N-[(6E)-2,4,4-trimethylnona-6,8-dien-3-ylidene]hydroxylamine
SMILESC=C/C=C/CC(C)(C)/C(=N/O)C(C)C
InChIInChI=1S/C12H21NO/c1-6-7-8-9-12(4,5)11(13-14)10(2)3/h6-8,10,14H,1,9H2,2-5H3/b8-7+,13-11+
InChIKeyJZVFMABEZCKLSU-IGOCJVNJSA-N
XLogP3.63
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.63
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(6E)-2,4,4-trimethylnona-6,8-dien-3-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(6E)-2,4,4-trimethylnona-6,8-dien-3-ylidene]hydroxylamine (CID 6365982) is (NE)-N-[(6E)-2,4,4-trimethylnona-6,8-dien-3-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(6E)-2,4,4-trimethylnona-6,8-dien-3-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(6E)-2,4,4-trimethylnona-6,8-dien-3-ylidene]hydroxylamine is C=C/C=C/CC(C)(C)/C(=N/O)C(C)C.
What is the InChIKey of (NE)-N-[(6E)-2,4,4-trimethylnona-6,8-dien-3-ylidene]hydroxylamine?
The InChIKey is JZVFMABEZCKLSU-IGOCJVNJSA-N. The full InChI is InChI=1S/C12H21NO/c1-6-7-8-9-12(4,5)11(13-14)10(2)3/h6-8,10,14H,1,9H2,2-5H3/b8-7+,13-11+.
What are the key properties of (NE)-N-[(6E)-2,4,4-trimethylnona-6,8-dien-3-ylidene]hydroxylamine?
(NE)-N-[(6E)-2,4,4-trimethylnona-6,8-dien-3-ylidene]hydroxylamine has a molecular weight of 195.31 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(6E)-2,4,4-trimethylnona-6,8-dien-3-ylidene]hydroxylamine is sourced from PubChem (CID 6365982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).