N-[1-(2-dodecylphenyl)ethylidene]hydroxylamine

C20H33NO — CID 86160120

IUPACN-[1-(2-dodecylphenyl)ethylidene]hydroxylamine
SMILESCCCCCCCCCCCCc1ccccc1C(C)=NO
InChIInChI=1S/C20H33NO/c1-3-4-5-6-7-8-9-10-11-12-15-19-16-13-14-17-20(19)18(2)21-22/h13-14,16-17,22H,3-12,15H2,1-2H3
InChIKeyNZIGOTMLEGYHNI-UHFFFAOYSA-N
MW303.49 g/mol
LogP6.35
Rot. Bonds12

About N-[1-(2-dodecylphenyl)ethylidene]hydroxylamine

N-[1-(2-dodecylphenyl)ethylidene]hydroxylamine (PubChem CID 86160120) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is N-[1-(2-dodecylphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(2-dodecylphenyl)ethylidene]hydroxylamine
PubChem CID86160120
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC NameN-[1-(2-dodecylphenyl)ethylidene]hydroxylamine
SMILESCCCCCCCCCCCCc1ccccc1C(C)=NO
InChIInChI=1S/C20H33NO/c1-3-4-5-6-7-8-9-10-11-12-15-19-16-13-14-17-20(19)18(2)21-22/h13-14,16-17,22H,3-12,15H2,1-2H3
InChIKeyNZIGOTMLEGYHNI-UHFFFAOYSA-N
XLogP6.35
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 56.35
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

(E)-1-(2-butylphenyl)-N-methoxyethanimine
CID 164678029
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
CID 159889030
CID 159889030
2-octylbenzamide
CID 11148995
2-butyl-N'-hydroxybenzenecarboximidamide
CID 141269238
2-dodecylbenzenecarbothioic S-acid
CID 19748613
azane;2-octylbenzoic acid
CID 70171834
(NE)-N-[1-(2-octoxyphenyl)ethylidene]hydroxylamine
CID 43129538

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-dodecylphenyl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(2-dodecylphenyl)ethylidene]hydroxylamine (CID 86160120) is N-[1-(2-dodecylphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(2-dodecylphenyl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(2-dodecylphenyl)ethylidene]hydroxylamine is CCCCCCCCCCCCc1ccccc1C(C)=NO.
What is the InChIKey of N-[1-(2-dodecylphenyl)ethylidene]hydroxylamine?
The InChIKey is NZIGOTMLEGYHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-3-4-5-6-7-8-9-10-11-12-15-19-16-13-14-17-20(19)18(2)21-22/h13-14,16-17,22H,3-12,15H2,1-2H3.
What are the key properties of N-[1-(2-dodecylphenyl)ethylidene]hydroxylamine?
N-[1-(2-dodecylphenyl)ethylidene]hydroxylamine has a molecular weight of 303.49 g/mol, XLogP of 6.35, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-dodecylphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 86160120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).