N-(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)hydroxylamine

C16H30N2O — CID 71403854

IUPACN-(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)hydroxylamine
SMILESCC(C)C(N)CC=CCCC=CCC(C)(C)C=NO
InChIInChI=1S/C16H30N2O/c1-14(2)15(17)11-9-7-5-6-8-10-12-16(3,4)13-18-19/h7-10,13-15,19H,5-6,11-12,17H2,1-4H3
InChIKeyXKBQSUGDDYFSTO-UHFFFAOYSA-N
MW266.43 g/mol
LogP4.13
Rot. Bonds9

About N-(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)hydroxylamine

N-(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)hydroxylamine (PubChem CID 71403854) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)hydroxylamine.

Molecular Properties

Compound NameN-(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)hydroxylamine
PubChem CID71403854
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)hydroxylamine
SMILESCC(C)C(N)CC=CCCC=CCC(C)(C)C=NO
InChIInChI=1S/C16H30N2O/c1-14(2)15(17)11-9-7-5-6-8-10-12-16(3,4)13-18-19/h7-10,13-15,19H,5-6,11-12,17H2,1-4H3
InChIKeyXKBQSUGDDYFSTO-UHFFFAOYSA-N
XLogP4.13
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.13
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-(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)hydroxylamine?
The IUPAC name of N-(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)hydroxylamine (CID 71403854) is N-(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)hydroxylamine.
What is the SMILES notation for N-(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)hydroxylamine?
The canonical SMILES for N-(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)hydroxylamine is CC(C)C(N)CC=CCCC=CCC(C)(C)C=NO.
What is the InChIKey of N-(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)hydroxylamine?
The InChIKey is XKBQSUGDDYFSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-14(2)15(17)11-9-7-5-6-8-10-12-16(3,4)13-18-19/h7-10,13-15,19H,5-6,11-12,17H2,1-4H3.
What are the key properties of N-(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)hydroxylamine?
N-(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)hydroxylamine has a molecular weight of 266.43 g/mol, XLogP of 4.13, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11-amino-2,2,12-trimethyltrideca-4,8-dienylidene)hydroxylamine is sourced from PubChem (CID 71403854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).