1-ethoxy-2-methylpropane-1,1-diamine

C6H16N2O — CID 19734755

IUPAC1-ethoxy-2-methylpropane-1,1-diamine
SMILESCCOC(N)(N)C(C)C
InChIInChI=1S/C6H16N2O/c1-4-9-6(7,8)5(2)3/h5H,4,7-8H2,1-3H3
InChIKeyZCVASGCBSDIVHD-UHFFFAOYSA-N
MW132.21 g/mol
LogP0.25
Rot. Bonds3

About 1-ethoxy-2-methylpropane-1,1-diamine

1-ethoxy-2-methylpropane-1,1-diamine (PubChem CID 19734755) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is 1-ethoxy-2-methylpropane-1,1-diamine.

Molecular Properties

Compound Name1-ethoxy-2-methylpropane-1,1-diamine
PubChem CID19734755
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name1-ethoxy-2-methylpropane-1,1-diamine
SMILESCCOC(N)(N)C(C)C
InChIInChI=1S/C6H16N2O/c1-4-9-6(7,8)5(2)3/h5H,4,7-8H2,1-3H3
InChIKeyZCVASGCBSDIVHD-UHFFFAOYSA-N
XLogP0.25
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 50.25
H-Bond Donors ≤ 52
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-ethoxy-2-methylpropane-1,1-diamine?
The IUPAC name of 1-ethoxy-2-methylpropane-1,1-diamine (CID 19734755) is 1-ethoxy-2-methylpropane-1,1-diamine.
What is the SMILES notation for 1-ethoxy-2-methylpropane-1,1-diamine?
The canonical SMILES for 1-ethoxy-2-methylpropane-1,1-diamine is CCOC(N)(N)C(C)C.
What is the InChIKey of 1-ethoxy-2-methylpropane-1,1-diamine?
The InChIKey is ZCVASGCBSDIVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-4-9-6(7,8)5(2)3/h5H,4,7-8H2,1-3H3.
What are the key properties of 1-ethoxy-2-methylpropane-1,1-diamine?
1-ethoxy-2-methylpropane-1,1-diamine has a molecular weight of 132.21 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-methylpropane-1,1-diamine is sourced from PubChem (CID 19734755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).