N-tert-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine;methane

C24H63NO — CID 158212954

IUPACN-tert-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine;methane
SMILESC.C.C.C.C.C.C.C.C.C.CC(C)C(c1ccccc1)N(O)C(C)(C)C
InChIInChI=1S/C14H23NO.10CH4/c1-11(2)13(15(16)14(3,4)5)12-9-7-6-8-10-12;;;;;;;;;;/h6-11,13,16H,1-5H3;10*1H4
InChIKeyGCHJLCBQKCDAEM-UHFFFAOYSA-N
MW381.77 g/mol
LogP10.23
Rot. Bonds3

About N-tert-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine;methane

N-tert-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine;methane (PubChem CID 158212954) has the molecular formula C24H63NO and a molecular weight of 381.77 g/mol. Its IUPAC name is N-tert-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine;methane.

Molecular Properties

Compound NameN-tert-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine;methane
PubChem CID158212954
Molecular FormulaC24H63NO
Molecular Weight381.77 g/mol
Exact Mass381.49
IUPAC NameN-tert-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine;methane
SMILESC.C.C.C.C.C.C.C.C.C.CC(C)C(c1ccccc1)N(O)C(C)(C)C
InChIInChI=1S/C14H23NO.10CH4/c1-11(2)13(15(16)14(3,4)5)12-9-7-6-8-10-12;;;;;;;;;;/h6-11,13,16H,1-5H3;10*1H4
InChIKeyGCHJLCBQKCDAEM-UHFFFAOYSA-N
XLogP10.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.77
LogP ≤ 510.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-N-(2-methyl-1-phenylpropyl)acetamide
CID 58983683
2-methyl-2-[methyl-(2-methyl-1-phenylpropyl)amino]propan-1-ol
CID 20583634
2-methyl-2-[methyl-(2-methyl-1-phenylpropyl)amino]propanoic acid
CID 65061275
(Z)-benzylidene-tert-butyl-hydroxyazanium;N-tert-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine;N-tert-butyl-2-methyl-1-phenyl-N-(1-pyridin-4-ylethoxy)propan-1-amine
CID 162023064
4-[1-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxyethyl]phenol
CID 87840436
CID 132607463
CID 132607463
N-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine
CID 91804581
2-methyl-2-(1-phenylethylamino)propan-1-ol
CID 60720568
2,2,4,5,5-pentamethylhexan-3-ylbenzene
CID 123822213
CID 100998329
CID 100998329
4,4-dimethyl-3-phenylpentan-2-ol
CID 91224802
methane;[(2S)-3-methylbutan-2-yl]benzene;[(2R)-3-methylbutan-2-yl]benzene
CID 162029093

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine;methane?
The IUPAC name of N-tert-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine;methane (CID 158212954) is N-tert-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine;methane.
What is the SMILES notation for N-tert-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine;methane?
The canonical SMILES for N-tert-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine;methane is C.C.C.C.C.C.C.C.C.C.CC(C)C(c1ccccc1)N(O)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine;methane?
The InChIKey is GCHJLCBQKCDAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO.10CH4/c1-11(2)13(15(16)14(3,4)5)12-9-7-6-8-10-12;;;;;;;;;;/h6-11,13,16H,1-5H3;10*1H4.
What are the key properties of N-tert-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine;methane?
N-tert-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine;methane has a molecular weight of 381.77 g/mol, XLogP of 10.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine;methane is sourced from PubChem (CID 158212954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).