N-[2-(2-methylphenyl)dodecylidene]hydroxylamine

C19H31NO — CID 173391188

IUPACN-[2-(2-methylphenyl)dodecylidene]hydroxylamine
SMILESCCCCCCCCCCC(C=NO)c1ccccc1C
InChIInChI=1S/C19H31NO/c1-3-4-5-6-7-8-9-10-14-18(16-20-21)19-15-12-11-13-17(19)2/h11-13,15-16,18,21H,3-10,14H2,1-2H3
InChIKeyJJUKTEVFVDMNPA-UHFFFAOYSA-N
MW289.46 g/mol
LogP6.07
Rot. Bonds11

About N-[2-(2-methylphenyl)dodecylidene]hydroxylamine

N-[2-(2-methylphenyl)dodecylidene]hydroxylamine (PubChem CID 173391188) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)dodecylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)dodecylidene]hydroxylamine
PubChem CID173391188
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[2-(2-methylphenyl)dodecylidene]hydroxylamine
SMILESCCCCCCCCCCC(C=NO)c1ccccc1C
InChIInChI=1S/C19H31NO/c1-3-4-5-6-7-8-9-10-14-18(16-20-21)19-15-12-11-13-17(19)2/h11-13,15-16,18,21H,3-10,14H2,1-2H3
InChIKeyJJUKTEVFVDMNPA-UHFFFAOYSA-N
XLogP6.07
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 56.07
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

1-methyl-2-tetradecan-2-ylbenzene
CID 54096578
1-methyl-2-octan-2-ylbenzene
CID 86190056
CID 21267009
CID 21267009
1-(1-bromononyl)-2-methylbenzene
CID 174984937
1-decan-3-yl-2-methylbenzene
CID 152506171
1-(2-methylphenyl)nonan-1-amine
CID 63412316
1-(1-hydroperoxyundecyl)-2-methylbenzene
CID 87550617
1-(2-fluoro-3-methylphenyl)undecan-1-ol
CID 115789168
2-(2-methylphenyl)decan-1-amine
CID 79421405
1-(1-chlorooctan-2-yl)-2-methylbenzene
CID 79419086
1-(1-bromooctan-2-yl)-2-methylbenzene
CID 79419011
1-(2-methylphenyl)heptadecane-1-sulfonic acid
CID 23043373

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)dodecylidene]hydroxylamine?
The IUPAC name of N-[2-(2-methylphenyl)dodecylidene]hydroxylamine (CID 173391188) is N-[2-(2-methylphenyl)dodecylidene]hydroxylamine.
What is the SMILES notation for N-[2-(2-methylphenyl)dodecylidene]hydroxylamine?
The canonical SMILES for N-[2-(2-methylphenyl)dodecylidene]hydroxylamine is CCCCCCCCCCC(C=NO)c1ccccc1C.
What is the InChIKey of N-[2-(2-methylphenyl)dodecylidene]hydroxylamine?
The InChIKey is JJUKTEVFVDMNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-4-5-6-7-8-9-10-14-18(16-20-21)19-15-12-11-13-17(19)2/h11-13,15-16,18,21H,3-10,14H2,1-2H3.
What are the key properties of N-[2-(2-methylphenyl)dodecylidene]hydroxylamine?
N-[2-(2-methylphenyl)dodecylidene]hydroxylamine has a molecular weight of 289.46 g/mol, XLogP of 6.07, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)dodecylidene]hydroxylamine is sourced from PubChem (CID 173391188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).