N-(12-amino-3,3,13-trimethyltetradeca-5,9-dienylidene)hydroxylamine

C17H32N2O — CID 86111155

IUPACN-(12-amino-3,3,13-trimethyltetradeca-5,9-dienylidene)hydroxylamine
SMILESCC(C)C(N)CC=CCCC=CCC(C)(C)CC=NO
InChIInChI=1S/C17H32N2O/c1-15(2)16(18)11-9-7-5-6-8-10-12-17(3,4)13-14-19-20/h7-10,14-16,20H,5-6,11-13,18H2,1-4H3
InChIKeyLTIBPRQCBKOUFV-UHFFFAOYSA-N
MW280.46 g/mol
LogP4.52
Rot. Bonds10

About N-(12-amino-3,3,13-trimethyltetradeca-5,9-dienylidene)hydroxylamine

N-(12-amino-3,3,13-trimethyltetradeca-5,9-dienylidene)hydroxylamine (PubChem CID 86111155) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-(12-amino-3,3,13-trimethyltetradeca-5,9-dienylidene)hydroxylamine.

Molecular Properties

Compound NameN-(12-amino-3,3,13-trimethyltetradeca-5,9-dienylidene)hydroxylamine
PubChem CID86111155
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-(12-amino-3,3,13-trimethyltetradeca-5,9-dienylidene)hydroxylamine
SMILESCC(C)C(N)CC=CCCC=CCC(C)(C)CC=NO
InChIInChI=1S/C17H32N2O/c1-15(2)16(18)11-9-7-5-6-8-10-12-17(3,4)13-14-19-20/h7-10,14-16,20H,5-6,11-13,18H2,1-4H3
InChIKeyLTIBPRQCBKOUFV-UHFFFAOYSA-N
XLogP4.52
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 N-(12-amino-3,3,13-trimethyltetradeca-5,9-dienylidene)hydroxylamine?
The IUPAC name of N-(12-amino-3,3,13-trimethyltetradeca-5,9-dienylidene)hydroxylamine (CID 86111155) is N-(12-amino-3,3,13-trimethyltetradeca-5,9-dienylidene)hydroxylamine.
What is the SMILES notation for N-(12-amino-3,3,13-trimethyltetradeca-5,9-dienylidene)hydroxylamine?
The canonical SMILES for N-(12-amino-3,3,13-trimethyltetradeca-5,9-dienylidene)hydroxylamine is CC(C)C(N)CC=CCCC=CCC(C)(C)CC=NO.
What is the InChIKey of N-(12-amino-3,3,13-trimethyltetradeca-5,9-dienylidene)hydroxylamine?
The InChIKey is LTIBPRQCBKOUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-15(2)16(18)11-9-7-5-6-8-10-12-17(3,4)13-14-19-20/h7-10,14-16,20H,5-6,11-13,18H2,1-4H3.
What are the key properties of N-(12-amino-3,3,13-trimethyltetradeca-5,9-dienylidene)hydroxylamine?
N-(12-amino-3,3,13-trimethyltetradeca-5,9-dienylidene)hydroxylamine has a molecular weight of 280.46 g/mol, XLogP of 4.52, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(12-amino-3,3,13-trimethyltetradeca-5,9-dienylidene)hydroxylamine is sourced from PubChem (CID 86111155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).