1-[dimethylamino(methyl)amino]ethyl formate

C6H14N2O2 — CID 54171702

IUPAC1-[dimethylamino(methyl)amino]ethyl formate
SMILESCC(OC=O)N(C)N(C)C
InChIInChI=1S/C6H14N2O2/c1-6(10-5-9)8(4)7(2)3/h5-6H,1-4H3
InChIKeySWCHKQMGOZSWPZ-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.09
Rot. Bonds4

About 1-[dimethylamino(methyl)amino]ethyl formate

1-[dimethylamino(methyl)amino]ethyl formate (PubChem CID 54171702) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-[dimethylamino(methyl)amino]ethyl formate.

Molecular Properties

Compound Name1-[dimethylamino(methyl)amino]ethyl formate
PubChem CID54171702
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name1-[dimethylamino(methyl)amino]ethyl formate
SMILESCC(OC=O)N(C)N(C)C
InChIInChI=1S/C6H14N2O2/c1-6(10-5-9)8(4)7(2)3/h5-6H,1-4H3
InChIKeySWCHKQMGOZSWPZ-UHFFFAOYSA-N
XLogP-0.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 1-[dimethylamino(methyl)amino]ethyl formate?
The IUPAC name of 1-[dimethylamino(methyl)amino]ethyl formate (CID 54171702) is 1-[dimethylamino(methyl)amino]ethyl formate.
What is the SMILES notation for 1-[dimethylamino(methyl)amino]ethyl formate?
The canonical SMILES for 1-[dimethylamino(methyl)amino]ethyl formate is CC(OC=O)N(C)N(C)C.
What is the InChIKey of 1-[dimethylamino(methyl)amino]ethyl formate?
The InChIKey is SWCHKQMGOZSWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-6(10-5-9)8(4)7(2)3/h5-6H,1-4H3.
What are the key properties of 1-[dimethylamino(methyl)amino]ethyl formate?
1-[dimethylamino(methyl)amino]ethyl formate has a molecular weight of 146.19 g/mol, XLogP of -0.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethylamino(methyl)amino]ethyl formate is sourced from PubChem (CID 54171702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).