3-ethoxy-1-N,1-N-dimethylpropane-1,2-diamine

C7H18N2O — CID 79570499

IUPAC3-ethoxy-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCOCC(N)CN(C)C
InChIInChI=1S/C7H18N2O/c1-4-10-6-7(8)5-9(2)3/h7H,4-6,8H2,1-3H3
InChIKeyFWXVBEDIFHGXMQ-UHFFFAOYSA-N
MW146.23 g/mol
LogP-0.09
Rot. Bonds5

About 3-ethoxy-1-N,1-N-dimethylpropane-1,2-diamine

3-ethoxy-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 79570499) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 3-ethoxy-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name3-ethoxy-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID79570499
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name3-ethoxy-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCOCC(N)CN(C)C
InChIInChI=1S/C7H18N2O/c1-4-10-6-7(8)5-9(2)3/h7H,4-6,8H2,1-3H3
InChIKeyFWXVBEDIFHGXMQ-UHFFFAOYSA-N
XLogP-0.09
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-ethoxy-2-methoxy-N,N-dimethylpropan-1-amine
CID 118521701
1-ethoxypentan-2-amine
CID 62042543
1-ethoxy-6-methylheptan-2-amine
CID 83162335
1-ethoxy-4-(2-methoxyethoxy)butan-2-amine
CID 102927951
methyl 3-amino-4-ethoxybutanoate
CID 116821263
3-ethoxy-N,N-dimethyl-2-octan-4-yloxypropan-1-amine
CID 123359366
3-(4-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine
CID 116820989
1-ethoxypropan-2-ylphosphane
CID 89068231
1-[2-(dimethylamino)ethyl-methylamino]-3-ethoxypropan-2-ol
CID 63932351
5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine
CID 81101856
3-ethoxy-1,1,1-trifluoropropan-2-amine
CID 64981755
1,2-diethoxy-N,N-dimethylethanamine
CID 88650398

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 3-ethoxy-1-N,1-N-dimethylpropane-1,2-diamine (CID 79570499) is 3-ethoxy-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 3-ethoxy-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 3-ethoxy-1-N,1-N-dimethylpropane-1,2-diamine is CCOCC(N)CN(C)C.
What is the InChIKey of 3-ethoxy-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is FWXVBEDIFHGXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-4-10-6-7(8)5-9(2)3/h7H,4-6,8H2,1-3H3.
What are the key properties of 3-ethoxy-1-N,1-N-dimethylpropane-1,2-diamine?
3-ethoxy-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 146.23 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 79570499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).