2-methyl-N-(3-methylbutan-2-yloxy)propan-2-amine

C9H21NO — CID 139475104

IUPAC2-methyl-N-(3-methylbutan-2-yloxy)propan-2-amine
SMILESCC(C)C(C)ONC(C)(C)C
InChIInChI=1S/C9H21NO/c1-7(2)8(3)11-10-9(4,5)6/h7-8,10H,1-6H3
InChIKeyWELCLBRTWHUVKN-UHFFFAOYSA-N
MW159.27 g/mol
LogP2.35
Rot. Bonds3

About 2-methyl-N-(3-methylbutan-2-yloxy)propan-2-amine

2-methyl-N-(3-methylbutan-2-yloxy)propan-2-amine (PubChem CID 139475104) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2-methyl-N-(3-methylbutan-2-yloxy)propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(3-methylbutan-2-yloxy)propan-2-amine
PubChem CID139475104
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2-methyl-N-(3-methylbutan-2-yloxy)propan-2-amine
SMILESCC(C)C(C)ONC(C)(C)C
InChIInChI=1S/C9H21NO/c1-7(2)8(3)11-10-9(4,5)6/h7-8,10H,1-6H3
InChIKeyWELCLBRTWHUVKN-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylbutan-2-yloxy)propan-2-amine?
The IUPAC name of 2-methyl-N-(3-methylbutan-2-yloxy)propan-2-amine (CID 139475104) is 2-methyl-N-(3-methylbutan-2-yloxy)propan-2-amine.
What is the SMILES notation for 2-methyl-N-(3-methylbutan-2-yloxy)propan-2-amine?
The canonical SMILES for 2-methyl-N-(3-methylbutan-2-yloxy)propan-2-amine is CC(C)C(C)ONC(C)(C)C.
What is the InChIKey of 2-methyl-N-(3-methylbutan-2-yloxy)propan-2-amine?
The InChIKey is WELCLBRTWHUVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-7(2)8(3)11-10-9(4,5)6/h7-8,10H,1-6H3.
What are the key properties of 2-methyl-N-(3-methylbutan-2-yloxy)propan-2-amine?
2-methyl-N-(3-methylbutan-2-yloxy)propan-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 2-methyl-N-(3-methylbutan-2-yloxy)propan-2-amine is sourced from PubChem (CID 139475104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).