N-[3-(4-tert-butylphenyl)propylidene]hydroxylamine

C13H19NO — CID 5154465

IUPACN-[3-(4-tert-butylphenyl)propylidene]hydroxylamine
SMILESCC(C)(C)c1ccc(CCC=NO)cc1
InChIInChI=1S/C13H19NO/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14-15/h6-10,15H,4-5H2,1-3H3
InChIKeyXAVNSGSGSGHIME-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.38
Rot. Bonds3

About N-[3-(4-tert-butylphenyl)propylidene]hydroxylamine

N-[3-(4-tert-butylphenyl)propylidene]hydroxylamine (PubChem CID 5154465) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[3-(4-tert-butylphenyl)propylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-(4-tert-butylphenyl)propylidene]hydroxylamine
PubChem CID5154465
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[3-(4-tert-butylphenyl)propylidene]hydroxylamine
SMILESCC(C)(C)c1ccc(CCC=NO)cc1
InChIInChI=1S/C13H19NO/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14-15/h6-10,15H,4-5H2,1-3H3
InChIKeyXAVNSGSGSGHIME-UHFFFAOYSA-N
XLogP3.38
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.38
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-(4-tert-butylphenyl)propanal
CID 87303470
N-[2-(4-tert-butylphenyl)ethyl]hydroxylamine
CID 142885264
3-(4-tert-butylphenyl)propanethioamide
CID 82080145
1-tert-butyl-4-(2-methoxyethyl)benzene
CID 67201808
tris[2-(4-tert-butylphenyl)ethyl]-sulfanylidene-λ5-phosphane
CID 122379311
N-tert-butyl-3-[4-(methylideneamino)phenyl]propan-1-imine
CID 163934302
1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;ethane
CID 144989068
1-tert-butyl-4-ethylbenzene
CID 157359507
4-(4-tert-butylphenyl)-2-methylbutan-1-ol
CID 64666507
1-tert-butyl-4-(2-methylpent-2-enyl)benzene
CID 57230599
4-(4-tert-butylphenyl)butanamide
CID 20619639
1-(4-tert-butylphenyl)propane-2,2-diol
CID 175500089

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-tert-butylphenyl)propylidene]hydroxylamine?
The IUPAC name of N-[3-(4-tert-butylphenyl)propylidene]hydroxylamine (CID 5154465) is N-[3-(4-tert-butylphenyl)propylidene]hydroxylamine.
What is the SMILES notation for N-[3-(4-tert-butylphenyl)propylidene]hydroxylamine?
The canonical SMILES for N-[3-(4-tert-butylphenyl)propylidene]hydroxylamine is CC(C)(C)c1ccc(CCC=NO)cc1.
What is the InChIKey of N-[3-(4-tert-butylphenyl)propylidene]hydroxylamine?
The InChIKey is XAVNSGSGSGHIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14-15/h6-10,15H,4-5H2,1-3H3.
What are the key properties of N-[3-(4-tert-butylphenyl)propylidene]hydroxylamine?
N-[3-(4-tert-butylphenyl)propylidene]hydroxylamine has a molecular weight of 205.30 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-tert-butylphenyl)propylidene]hydroxylamine is sourced from PubChem (CID 5154465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).