4-anilino-N,N,2,3-tetramethylbutan-2-amine oxide

C14H24N2O — CID 163495945

IUPAC4-anilino-N,N,2,3-tetramethylbutan-2-amine oxide
SMILESCC(CNc1ccccc1)C(C)(C)[N+](C)(C)[O-]
InChIInChI=1S/C14H24N2O/c1-12(14(2,3)16(4,5)17)11-15-13-9-7-6-8-10-13/h6-10,12,15H,11H2,1-5H3
InChIKeyCQSIVKWAMRDPOS-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.09
Rot. Bonds5

About 4-anilino-N,N,2,3-tetramethylbutan-2-amine oxide

4-anilino-N,N,2,3-tetramethylbutan-2-amine oxide (PubChem CID 163495945) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-anilino-N,N,2,3-tetramethylbutan-2-amine oxide.

Molecular Properties

Compound Name4-anilino-N,N,2,3-tetramethylbutan-2-amine oxide
PubChem CID163495945
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-anilino-N,N,2,3-tetramethylbutan-2-amine oxide
SMILESCC(CNc1ccccc1)C(C)(C)[N+](C)(C)[O-]
InChIInChI=1S/C14H24N2O/c1-12(14(2,3)16(4,5)17)11-15-13-9-7-6-8-10-13/h6-10,12,15H,11H2,1-5H3
InChIKeyCQSIVKWAMRDPOS-UHFFFAOYSA-N
XLogP3.09
TPSA35.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromopropyl)aniline
CID 13183607
1-anilino-3,3-dimethylbutan-2-ol
CID 10607819
N-(2-methylsulfanylpropyl)aniline
CID 62582287
(2R)-3-methyl-1-N-phenylbutane-1,2-diamine
CID 89354678
2-methyl-N-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 22075486
N-(2,3,5-trimethylhexyl)aniline
CID 167250577
3-amino-2-(anilinomethyl)butanoic acid
CID 22626953
N-(2-methylsulfonylpropyl)aniline
CID 104519124
(E)-N,N'-diphenylbut-2-ene-1,4-diamine
CID 101288969
N-methyl-1-phenylmethanamine;N-(2-methylpropyl)aniline;molecular hydrogen
CID 156868547
3-anilino-2-methylpropanethioamide
CID 82075999
1-anilino-2-methylpentan-3-ol
CID 69294698

Frequently Asked Questions

What is the IUPAC name of 4-anilino-N,N,2,3-tetramethylbutan-2-amine oxide?
The IUPAC name of 4-anilino-N,N,2,3-tetramethylbutan-2-amine oxide (CID 163495945) is 4-anilino-N,N,2,3-tetramethylbutan-2-amine oxide.
What is the SMILES notation for 4-anilino-N,N,2,3-tetramethylbutan-2-amine oxide?
The canonical SMILES for 4-anilino-N,N,2,3-tetramethylbutan-2-amine oxide is CC(CNc1ccccc1)C(C)(C)[N+](C)(C)[O-].
What is the InChIKey of 4-anilino-N,N,2,3-tetramethylbutan-2-amine oxide?
The InChIKey is CQSIVKWAMRDPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12(14(2,3)16(4,5)17)11-15-13-9-7-6-8-10-13/h6-10,12,15H,11H2,1-5H3.
What are the key properties of 4-anilino-N,N,2,3-tetramethylbutan-2-amine oxide?
4-anilino-N,N,2,3-tetramethylbutan-2-amine oxide has a molecular weight of 236.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-N,N,2,3-tetramethylbutan-2-amine oxide is sourced from PubChem (CID 163495945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).