2-methyl-N-propoxypropan-2-amine

C7H17NO — CID 175125492

IUPAC2-methyl-N-propoxypropan-2-amine
SMILESCCCONC(C)(C)C
InChIInChI=1S/C7H17NO/c1-5-6-9-8-7(2,3)4/h8H,5-6H2,1-4H3
InChIKeyAKYSPVILBZIIRL-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.72
Rot. Bonds3

About 2-methyl-N-propoxypropan-2-amine

2-methyl-N-propoxypropan-2-amine (PubChem CID 175125492) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 2-methyl-N-propoxypropan-2-amine.

Molecular Properties

Compound Name2-methyl-N-propoxypropan-2-amine
PubChem CID175125492
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name2-methyl-N-propoxypropan-2-amine
SMILESCCCONC(C)(C)C
InChIInChI=1S/C7H17NO/c1-5-6-9-8-7(2,3)4/h8H,5-6H2,1-4H3
InChIKeyAKYSPVILBZIIRL-UHFFFAOYSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-propoxypropan-2-amine?
The IUPAC name of 2-methyl-N-propoxypropan-2-amine (CID 175125492) is 2-methyl-N-propoxypropan-2-amine.
What is the SMILES notation for 2-methyl-N-propoxypropan-2-amine?
The canonical SMILES for 2-methyl-N-propoxypropan-2-amine is CCCONC(C)(C)C.
What is the InChIKey of 2-methyl-N-propoxypropan-2-amine?
The InChIKey is AKYSPVILBZIIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-5-6-9-8-7(2,3)4/h8H,5-6H2,1-4H3.
What are the key properties of 2-methyl-N-propoxypropan-2-amine?
2-methyl-N-propoxypropan-2-amine has a molecular weight of 131.22 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propoxypropan-2-amine is sourced from PubChem (CID 175125492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).