3-methyl-N-[(2-methylpropan-2-yl)oxy]butan-2-amine

C9H21NO — CID 82720828

IUPAC3-methyl-N-[(2-methylpropan-2-yl)oxy]butan-2-amine
SMILESCC(C)C(C)NOC(C)(C)C
InChIInChI=1S/C9H21NO/c1-7(2)8(3)10-11-9(4,5)6/h7-8,10H,1-6H3
InChIKeyVTIWTKUKHGFEBX-UHFFFAOYSA-N
MW159.27 g/mol
LogP2.35
Rot. Bonds3

About 3-methyl-N-[(2-methylpropan-2-yl)oxy]butan-2-amine

3-methyl-N-[(2-methylpropan-2-yl)oxy]butan-2-amine (PubChem CID 82720828) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 3-methyl-N-[(2-methylpropan-2-yl)oxy]butan-2-amine.

Molecular Properties

Compound Name3-methyl-N-[(2-methylpropan-2-yl)oxy]butan-2-amine
PubChem CID82720828
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name3-methyl-N-[(2-methylpropan-2-yl)oxy]butan-2-amine
SMILESCC(C)C(C)NOC(C)(C)C
InChIInChI=1S/C9H21NO/c1-7(2)8(3)10-11-9(4,5)6/h7-8,10H,1-6H3
InChIKeyVTIWTKUKHGFEBX-UHFFFAOYSA-N
XLogP2.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-N-[(2-methylpropan-2-yl)oxy]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butanoic acid
CID 54446615
N-[(2-methylpropan-2-yl)oxy]-1-thiophen-2-ylethanamine
CID 82720685
1-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82719779
1-(2-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82719560
1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720480
1-(2,4-dibromophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720321
3-methyl-2-[(2-methylpropan-2-yl)oxyamino]butane-1,3-diol
CID 175063250
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
1-(4-bromo-2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82774226
5-fluoro-2-[1-[(2-methylpropan-2-yl)oxyamino]ethyl]phenol
CID 82719895
2-methyl-6-N-[(2-methylpropan-2-yl)oxy]-2-N-propan-2-ylheptane-2,6-diamine
CID 166970241
1-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine
CID 82719668

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The IUPAC name of 3-methyl-N-[(2-methylpropan-2-yl)oxy]butan-2-amine (CID 82720828) is 3-methyl-N-[(2-methylpropan-2-yl)oxy]butan-2-amine.
What is the SMILES notation for 3-methyl-N-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The canonical SMILES for 3-methyl-N-[(2-methylpropan-2-yl)oxy]butan-2-amine is CC(C)C(C)NOC(C)(C)C.
What is the InChIKey of 3-methyl-N-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The InChIKey is VTIWTKUKHGFEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-7(2)8(3)10-11-9(4,5)6/h7-8,10H,1-6H3.
What are the key properties of 3-methyl-N-[(2-methylpropan-2-yl)oxy]butan-2-amine?
3-methyl-N-[(2-methylpropan-2-yl)oxy]butan-2-amine has a molecular weight of 159.27 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-methylpropan-2-yl)oxy]butan-2-amine is sourced from PubChem (CID 82720828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).