N-(2,4,4,7-tetramethylnona-6,8-dien-3-ylidene)hydroxylamine

C13H23NO — CID 3019015

IUPACN-(2,4,4,7-tetramethylnona-6,8-dien-3-ylidene)hydroxylamine
SMILESC=CC(C)=CCC(C)(C)C(=NO)C(C)C
InChIInChI=1S/C13H23NO/c1-7-11(4)8-9-13(5,6)12(14-15)10(2)3/h7-8,10,15H,1,9H2,2-6H3
InChIKeyMEJYWDUBOCZFFS-UHFFFAOYSA-N
MW209.33 g/mol
LogP4.02
Rot. Bonds5

About N-(2,4,4,7-tetramethylnona-6,8-dien-3-ylidene)hydroxylamine

N-(2,4,4,7-tetramethylnona-6,8-dien-3-ylidene)hydroxylamine (PubChem CID 3019015) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-(2,4,4,7-tetramethylnona-6,8-dien-3-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2,4,4,7-tetramethylnona-6,8-dien-3-ylidene)hydroxylamine
PubChem CID3019015
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-(2,4,4,7-tetramethylnona-6,8-dien-3-ylidene)hydroxylamine
SMILESC=CC(C)=CCC(C)(C)C(=NO)C(C)C
InChIInChI=1S/C13H23NO/c1-7-11(4)8-9-13(5,6)12(14-15)10(2)3/h7-8,10,15H,1,9H2,2-6H3
InChIKeyMEJYWDUBOCZFFS-UHFFFAOYSA-N
XLogP4.02
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 54.02
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-(2,4,4,7-tetramethylnona-6,8-dien-3-ylidene)hydroxylamine?
The IUPAC name of N-(2,4,4,7-tetramethylnona-6,8-dien-3-ylidene)hydroxylamine (CID 3019015) is N-(2,4,4,7-tetramethylnona-6,8-dien-3-ylidene)hydroxylamine.
What is the SMILES notation for N-(2,4,4,7-tetramethylnona-6,8-dien-3-ylidene)hydroxylamine?
The canonical SMILES for N-(2,4,4,7-tetramethylnona-6,8-dien-3-ylidene)hydroxylamine is C=CC(C)=CCC(C)(C)C(=NO)C(C)C.
What is the InChIKey of N-(2,4,4,7-tetramethylnona-6,8-dien-3-ylidene)hydroxylamine?
The InChIKey is MEJYWDUBOCZFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-7-11(4)8-9-13(5,6)12(14-15)10(2)3/h7-8,10,15H,1,9H2,2-6H3.
What are the key properties of N-(2,4,4,7-tetramethylnona-6,8-dien-3-ylidene)hydroxylamine?
N-(2,4,4,7-tetramethylnona-6,8-dien-3-ylidene)hydroxylamine has a molecular weight of 209.33 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,4,7-tetramethylnona-6,8-dien-3-ylidene)hydroxylamine is sourced from PubChem (CID 3019015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).