1,1-diethoxypropan-2-amine

C7H17NO2 — CID 3016931

IUPAC1,1-diethoxypropan-2-amine
SMILESCCOC(OCC)C(C)N
InChIInChI=1S/C7H17NO2/c1-4-9-7(6(3)8)10-5-2/h6-7H,4-5,8H2,1-3H3
InChIKeyMLTOHCRTGWUMIR-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.73
Rot. Bonds5

About 1,1-diethoxypropan-2-amine

1,1-diethoxypropan-2-amine (PubChem CID 3016931) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 1,1-diethoxypropan-2-amine.

Molecular Properties

Compound Name1,1-diethoxypropan-2-amine
PubChem CID3016931
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name1,1-diethoxypropan-2-amine
SMILESCCOC(OCC)C(C)N
InChIInChI=1S/C7H17NO2/c1-4-9-7(6(3)8)10-5-2/h6-7H,4-5,8H2,1-3H3
InChIKeyMLTOHCRTGWUMIR-UHFFFAOYSA-N
XLogP0.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1,1-diethoxypropan-2-amine?
The IUPAC name of 1,1-diethoxypropan-2-amine (CID 3016931) is 1,1-diethoxypropan-2-amine.
What is the SMILES notation for 1,1-diethoxypropan-2-amine?
The canonical SMILES for 1,1-diethoxypropan-2-amine is CCOC(OCC)C(C)N.
What is the InChIKey of 1,1-diethoxypropan-2-amine?
The InChIKey is MLTOHCRTGWUMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-4-9-7(6(3)8)10-5-2/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 1,1-diethoxypropan-2-amine?
1,1-diethoxypropan-2-amine has a molecular weight of 147.22 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxypropan-2-amine is sourced from PubChem (CID 3016931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).