N-(2,4,4-trimethylnona-6,8-dien-3-ylidene)hydroxylamine

C12H21NO — CID 3020009

IUPACN-(2,4,4-trimethylnona-6,8-dien-3-ylidene)hydroxylamine
SMILESC=CC=CCC(C)(C)C(=NO)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
InChIKeyJZVFMABEZCKLSU-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.63
Rot. Bonds5

About N-(2,4,4-trimethylnona-6,8-dien-3-ylidene)hydroxylamine

N-(2,4,4-trimethylnona-6,8-dien-3-ylidene)hydroxylamine (PubChem CID 3020009) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(2,4,4-trimethylnona-6,8-dien-3-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2,4,4-trimethylnona-6,8-dien-3-ylidene)hydroxylamine
PubChem CID3020009
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-(2,4,4-trimethylnona-6,8-dien-3-ylidene)hydroxylamine
SMILESC=CC=CCC(C)(C)C(=NO)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
InChIKeyJZVFMABEZCKLSU-UHFFFAOYSA-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 N-(2,4,4-trimethylnona-6,8-dien-3-ylidene)hydroxylamine?
The IUPAC name of N-(2,4,4-trimethylnona-6,8-dien-3-ylidene)hydroxylamine (CID 3020009) is N-(2,4,4-trimethylnona-6,8-dien-3-ylidene)hydroxylamine.
What is the SMILES notation for N-(2,4,4-trimethylnona-6,8-dien-3-ylidene)hydroxylamine?
The canonical SMILES for N-(2,4,4-trimethylnona-6,8-dien-3-ylidene)hydroxylamine is C=CC=CCC(C)(C)C(=NO)C(C)C.
What is the InChIKey of N-(2,4,4-trimethylnona-6,8-dien-3-ylidene)hydroxylamine?
The InChIKey is JZVFMABEZCKLSU-UHFFFAOYSA-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.
What are the key properties of N-(2,4,4-trimethylnona-6,8-dien-3-ylidene)hydroxylamine?
N-(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 N-(2,4,4-trimethylnona-6,8-dien-3-ylidene)hydroxylamine is sourced from PubChem (CID 3020009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).