2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine

C9H21NO — CID 58200142

IUPAC2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine
SMILESCC(C)(C)CNOC(C)(C)C
InChIInChI=1S/C9H21NO/c1-8(2,3)7-10-11-9(4,5)6/h10H,7H2,1-6H3
InChIKeyWLIATBFIKZUZFS-UHFFFAOYSA-N
MW159.27 g/mol
LogP2.35
Rot. Bonds2

About 2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine

2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine (PubChem CID 58200142) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine
PubChem CID58200142
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine
SMILESCC(C)(C)CNOC(C)(C)C
InChIInChI=1S/C9H21NO/c1-8(2,3)7-10-11-9(4,5)6/h10H,7H2,1-6H3
InChIKeyWLIATBFIKZUZFS-UHFFFAOYSA-N
XLogP2.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine (CID 58200142) is 2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine is CC(C)(C)CNOC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine?
The InChIKey is WLIATBFIKZUZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-8(2,3)7-10-11-9(4,5)6/h10H,7H2,1-6H3.
What are the key properties of 2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine?
2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine is sourced from PubChem (CID 58200142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).