N-(2-methyl-4-phenylpentylidene)hydroxylamine

C12H17NO — CID 88619185

IUPACN-(2-methyl-4-phenylpentylidene)hydroxylamine
SMILESCC(C=NO)CC(C)c1ccccc1
InChIInChI=1S/C12H17NO/c1-10(9-13-14)8-11(2)12-6-4-3-5-7-12/h3-7,9-11,14H,8H2,1-2H3
InChIKeyKPGWONVOKGWHOG-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.28
Rot. Bonds4

About N-(2-methyl-4-phenylpentylidene)hydroxylamine

N-(2-methyl-4-phenylpentylidene)hydroxylamine (PubChem CID 88619185) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-(2-methyl-4-phenylpentylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-methyl-4-phenylpentylidene)hydroxylamine
PubChem CID88619185
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-(2-methyl-4-phenylpentylidene)hydroxylamine
SMILESCC(C=NO)CC(C)c1ccccc1
InChIInChI=1S/C12H17NO/c1-10(9-13-14)8-11(2)12-6-4-3-5-7-12/h3-7,9-11,14H,8H2,1-2H3
InChIKeyKPGWONVOKGWHOG-UHFFFAOYSA-N
XLogP3.28
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.28
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

3-phenylbutane-1,1-diol
CID 18417931
(4R)-2-methyl-6-phenylheptan-4-ol
CID 135043417
1-(methylamino)-4-phenylpentan-2-ol
CID 62773320
3-methyl-5-phenylhexan-2-one
CID 22898138
barium(2+);hydride;2-(2-phenylpropyl)propanedioic acid
CID 174968808
ethane;(2S)-2-phenylpropan-1-ol
CID 142206535
ethane;(2R)-2-phenylpropan-1-ol
CID 160644449
(6-methyl-4-phenylheptan-2-yl)benzene
CID 174190180
4-phenyl-2-propan-2-ylpentanoic acid
CID 67132291
4-chlorohex-5-en-2-ylbenzene
CID 13095877
(1Z)-N-hydroxy-3-phenylbutanimidoyl chloride
CID 106892063
1-nitro-4-phenylpentan-2-ol
CID 121216644

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-phenylpentylidene)hydroxylamine?
The IUPAC name of N-(2-methyl-4-phenylpentylidene)hydroxylamine (CID 88619185) is N-(2-methyl-4-phenylpentylidene)hydroxylamine.
What is the SMILES notation for N-(2-methyl-4-phenylpentylidene)hydroxylamine?
The canonical SMILES for N-(2-methyl-4-phenylpentylidene)hydroxylamine is CC(C=NO)CC(C)c1ccccc1.
What is the InChIKey of N-(2-methyl-4-phenylpentylidene)hydroxylamine?
The InChIKey is KPGWONVOKGWHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10(9-13-14)8-11(2)12-6-4-3-5-7-12/h3-7,9-11,14H,8H2,1-2H3.
What are the key properties of N-(2-methyl-4-phenylpentylidene)hydroxylamine?
N-(2-methyl-4-phenylpentylidene)hydroxylamine has a molecular weight of 191.27 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-phenylpentylidene)hydroxylamine is sourced from PubChem (CID 88619185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).