N-(3-benzylidene-4,4-dimethylpentan-2-ylidene)hydroxylamine

C14H19NO — CID 150998431

IUPACN-(3-benzylidene-4,4-dimethylpentan-2-ylidene)hydroxylamine
SMILESCC(=NO)C(=Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C14H19NO/c1-11(15-16)13(14(2,3)4)10-12-8-6-5-7-9-12/h5-10,16H,1-4H3
InChIKeyLTPCDIKKIOFCQL-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.97
Rot. Bonds2

About N-(3-benzylidene-4,4-dimethylpentan-2-ylidene)hydroxylamine

N-(3-benzylidene-4,4-dimethylpentan-2-ylidene)hydroxylamine (PubChem CID 150998431) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(3-benzylidene-4,4-dimethylpentan-2-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3-benzylidene-4,4-dimethylpentan-2-ylidene)hydroxylamine
PubChem CID150998431
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-(3-benzylidene-4,4-dimethylpentan-2-ylidene)hydroxylamine
SMILESCC(=NO)C(=Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C14H19NO/c1-11(15-16)13(14(2,3)4)10-12-8-6-5-7-9-12/h5-10,16H,1-4H3
InChIKeyLTPCDIKKIOFCQL-UHFFFAOYSA-N
XLogP3.97
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.97
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

(3E,5E)-3,5-dibenzylidene-2,2,6,6-tetramethylheptan-4-one
CID 139998466
2-benzylidene-3,3-dimethylbutanamide
CID 67615260
(NE)-N-[(Z)-3,4-diphenylbut-3-en-2-ylidene]hydroxylamine
CID 12637252
2-benzylidene-3,3-dimethylbutanoic acid;2-phenylethenol
CID 70130981
(2Z)-2-benzylidene-N-ethyl-3,3-dimethylbutanamide
CID 70841269
ditert-butyl(1-phenylprop-1-en-2-yl)phosphane
CID 140620525
(NE)-N-[3-[(2E)-2-benzylidenehydrazinyl]-3-methylbutan-2-ylidene]hydroxylamine
CID 23264843
(NZ)-N-benzylidenehydroxylamine;ethane
CID 91038836
N-benzylidenehydroxylamine;ethane
CID 90698406
1-phenyl-4-[(Z)-2,3,3-trimethylbut-1-enyl]benzene
CID 14906848
dichloro(1-phenylprop-1-en-2-yl)silane
CID 154143014
(Z)-2,2,6-trimethyl-7-phenylhept-6-en-3-one
CID 10376576

Frequently Asked Questions

What is the IUPAC name of N-(3-benzylidene-4,4-dimethylpentan-2-ylidene)hydroxylamine?
The IUPAC name of N-(3-benzylidene-4,4-dimethylpentan-2-ylidene)hydroxylamine (CID 150998431) is N-(3-benzylidene-4,4-dimethylpentan-2-ylidene)hydroxylamine.
What is the SMILES notation for N-(3-benzylidene-4,4-dimethylpentan-2-ylidene)hydroxylamine?
The canonical SMILES for N-(3-benzylidene-4,4-dimethylpentan-2-ylidene)hydroxylamine is CC(=NO)C(=Cc1ccccc1)C(C)(C)C.
What is the InChIKey of N-(3-benzylidene-4,4-dimethylpentan-2-ylidene)hydroxylamine?
The InChIKey is LTPCDIKKIOFCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11(15-16)13(14(2,3)4)10-12-8-6-5-7-9-12/h5-10,16H,1-4H3.
What are the key properties of N-(3-benzylidene-4,4-dimethylpentan-2-ylidene)hydroxylamine?
N-(3-benzylidene-4,4-dimethylpentan-2-ylidene)hydroxylamine has a molecular weight of 217.31 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzylidene-4,4-dimethylpentan-2-ylidene)hydroxylamine is sourced from PubChem (CID 150998431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).