2-propoxypropan-2-amine

C6H15NO — CID 87386068

IUPAC2-propoxypropan-2-amine
SMILESCCCOC(C)(C)N
InChIInChI=1S/C6H15NO/c1-4-5-8-6(2,3)7/h4-5,7H2,1-3H3
InChIKeyWIPURNDHCFYRCK-UHFFFAOYSA-N
MW117.19 g/mol
LogP1.11
Rot. Bonds3

About 2-propoxypropan-2-amine

2-propoxypropan-2-amine (PubChem CID 87386068) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is 2-propoxypropan-2-amine.

Molecular Properties

Compound Name2-propoxypropan-2-amine
PubChem CID87386068
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name2-propoxypropan-2-amine
SMILESCCCOC(C)(C)N
InChIInChI=1S/C6H15NO/c1-4-5-8-6(2,3)7/h4-5,7H2,1-3H3
InChIKeyWIPURNDHCFYRCK-UHFFFAOYSA-N
XLogP1.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-propoxypropan-2-amine?
The IUPAC name of 2-propoxypropan-2-amine (CID 87386068) is 2-propoxypropan-2-amine.
What is the SMILES notation for 2-propoxypropan-2-amine?
The canonical SMILES for 2-propoxypropan-2-amine is CCCOC(C)(C)N.
What is the InChIKey of 2-propoxypropan-2-amine?
The InChIKey is WIPURNDHCFYRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-4-5-8-6(2,3)7/h4-5,7H2,1-3H3.
What are the key properties of 2-propoxypropan-2-amine?
2-propoxypropan-2-amine has a molecular weight of 117.19 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxypropan-2-amine is sourced from PubChem (CID 87386068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).