N-(2,2,4,4-tetramethyl-1-phenylpentylidene)hydroxylamine

C15H23NO — CID 173302298

IUPACN-(2,2,4,4-tetramethyl-1-phenylpentylidene)hydroxylamine
SMILESCC(C)(C)CC(C)(C)C(=NO)c1ccccc1
InChIInChI=1S/C15H23NO/c1-14(2,3)11-15(4,5)13(16-17)12-9-7-6-8-10-12/h6-10,17H,11H2,1-5H3
InChIKeyPTHJVWKEKMSNMN-UHFFFAOYSA-N
MW233.35 g/mol
LogP4.33
Rot. Bonds3

About N-(2,2,4,4-tetramethyl-1-phenylpentylidene)hydroxylamine

N-(2,2,4,4-tetramethyl-1-phenylpentylidene)hydroxylamine (PubChem CID 173302298) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-(2,2,4,4-tetramethyl-1-phenylpentylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2,2,4,4-tetramethyl-1-phenylpentylidene)hydroxylamine
PubChem CID173302298
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-(2,2,4,4-tetramethyl-1-phenylpentylidene)hydroxylamine
SMILESCC(C)(C)CC(C)(C)C(=NO)c1ccccc1
InChIInChI=1S/C15H23NO/c1-14(2,3)11-15(4,5)13(16-17)12-9-7-6-8-10-12/h6-10,17H,11H2,1-5H3
InChIKeyPTHJVWKEKMSNMN-UHFFFAOYSA-N
XLogP4.33
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

(NZ)-N-(2,2-dimethyl-1-phenylbut-3-enylidene)hydroxylamine
CID 124643608
N-ethyl-N-[(1E)-1-hydroxyimino-2-methyl-1-phenylpropan-2-yl]hydroxylamine
CID 5337789
(NZ)-N-(2,2,2-trichloro-1-phenylethylidene)hydroxylamine
CID 170909172
N-tert-butyl-2,2-dimethyl-1-phenylpropan-1-imine
CID 15739864
1-(1-hydroxyimino-2-methyl-1-phenylpropan-2-yl)-1,3-dimethylurea
CID 3417354
(2R)-2-methyl-2-[(2,2,2-trifluoro-1-phenylethylidene)amino]butanoic acid
CID 87795705
phenyl-[4-(2,4,4-trimethylpentan-2-yl)phenyl]methanone
CID 138525815
2,2-dimethyl-1,3-diphenylpropan-1-one
CID 12892486
(NZ)-N-[(3E)-3-hydroxyimino-1,3-diphenylpropylidene]hydroxylamine
CID 6297502
CID 134863341
CID 134863341
acetic acid;N-hydroxybenzenecarboximidoyl chloride
CID 158315171
CID 158792811
CID 158792811

Frequently Asked Questions

What is the IUPAC name of N-(2,2,4,4-tetramethyl-1-phenylpentylidene)hydroxylamine?
The IUPAC name of N-(2,2,4,4-tetramethyl-1-phenylpentylidene)hydroxylamine (CID 173302298) is N-(2,2,4,4-tetramethyl-1-phenylpentylidene)hydroxylamine.
What is the SMILES notation for N-(2,2,4,4-tetramethyl-1-phenylpentylidene)hydroxylamine?
The canonical SMILES for N-(2,2,4,4-tetramethyl-1-phenylpentylidene)hydroxylamine is CC(C)(C)CC(C)(C)C(=NO)c1ccccc1.
What is the InChIKey of N-(2,2,4,4-tetramethyl-1-phenylpentylidene)hydroxylamine?
The InChIKey is PTHJVWKEKMSNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-14(2,3)11-15(4,5)13(16-17)12-9-7-6-8-10-12/h6-10,17H,11H2,1-5H3.
What are the key properties of N-(2,2,4,4-tetramethyl-1-phenylpentylidene)hydroxylamine?
N-(2,2,4,4-tetramethyl-1-phenylpentylidene)hydroxylamine has a molecular weight of 233.35 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,4,4-tetramethyl-1-phenylpentylidene)hydroxylamine is sourced from PubChem (CID 173302298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).