N-(2-hexadecylnonadecylidene)hydroxylamine

C35H71NO — CID 87129124

IUPACN-(2-hexadecylnonadecylidene)hydroxylamine
SMILESCCCCCCCCCCCCCCCCCC(C=NO)CCCCCCCCCCCCCCCC
InChIInChI=1S/C35H71NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(34-36-37)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,37H,3-33H2,1-2H3
InChIKeyHGUBUDCRWGEYPR-UHFFFAOYSA-N
MW521.96 g/mol
LogP13.20
Rot. Bonds32

About N-(2-hexadecylnonadecylidene)hydroxylamine

N-(2-hexadecylnonadecylidene)hydroxylamine (PubChem CID 87129124) has the molecular formula C35H71NO and a molecular weight of 521.96 g/mol. Its IUPAC name is N-(2-hexadecylnonadecylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-hexadecylnonadecylidene)hydroxylamine
PubChem CID87129124
Molecular FormulaC35H71NO
Molecular Weight521.96 g/mol
Exact Mass521.55
IUPAC NameN-(2-hexadecylnonadecylidene)hydroxylamine
SMILESCCCCCCCCCCCCCCCCCC(C=NO)CCCCCCCCCCCCCCCC
InChIInChI=1S/C35H71NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(34-36-37)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,37H,3-33H2,1-2H3
InChIKeyHGUBUDCRWGEYPR-UHFFFAOYSA-N
XLogP13.20
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds32
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.96
LogP ≤ 513.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-(2-ethylhexylidene)hydroxylamine
CID 11252077
N-(2-methylundecylidene)hydroxylamine
CID 72729964
5-(hydroxyiminomethyl)nonan-2-ol
CID 170560071
10-ethenylnonadecane
CID 57244946
2-fluorotridecan-1-ol
CID 54139332
(2R)-2-fluorodecan-1-ol
CID 54309655
2-fluorononan-1-ol
CID 15918975
2-fluoroundecan-1-ol
CID 15918974
ethane;9-ethenylheptadecane;octane
CID 168985515
di(octan-2-yl)diazene
CID 139695075
2-ethylheptadecanal
CID 18629573
5-prop-1-enyltridecane
CID 57064303

Frequently Asked Questions

What is the IUPAC name of N-(2-hexadecylnonadecylidene)hydroxylamine?
The IUPAC name of N-(2-hexadecylnonadecylidene)hydroxylamine (CID 87129124) is N-(2-hexadecylnonadecylidene)hydroxylamine.
What is the SMILES notation for N-(2-hexadecylnonadecylidene)hydroxylamine?
The canonical SMILES for N-(2-hexadecylnonadecylidene)hydroxylamine is CCCCCCCCCCCCCCCCCC(C=NO)CCCCCCCCCCCCCCCC.
What is the InChIKey of N-(2-hexadecylnonadecylidene)hydroxylamine?
The InChIKey is HGUBUDCRWGEYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H71NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(34-36-37)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,37H,3-33H2,1-2H3.
What are the key properties of N-(2-hexadecylnonadecylidene)hydroxylamine?
N-(2-hexadecylnonadecylidene)hydroxylamine has a molecular weight of 521.96 g/mol, XLogP of 13.20, 32 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hexadecylnonadecylidene)hydroxylamine is sourced from PubChem (CID 87129124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).