1-N-ethyl-1-N,2-dimethylpropane-1,2-diamine

C7H18N2 — CID 61265281

IUPAC1-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
SMILESCCN(C)CC(C)(C)N
InChIInChI=1S/C7H18N2/c1-5-9(4)6-7(2,3)8/h5-6,8H2,1-4H3
InChIKeyWGBQMTRKPCBRGO-UHFFFAOYSA-N
MW130.23 g/mol
LogP0.68
Rot. Bonds3

About 1-N-ethyl-1-N,2-dimethylpropane-1,2-diamine

1-N-ethyl-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 61265281) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is 1-N-ethyl-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
PubChem CID61265281
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC Name1-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
SMILESCCN(C)CC(C)(C)N
InChIInChI=1S/C7H18N2/c1-5-9(4)6-7(2,3)8/h5-6,8H2,1-4H3
InChIKeyWGBQMTRKPCBRGO-UHFFFAOYSA-N
XLogP0.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3-N-diethyl-1-N,3-N,2-trimethylpropane-1,2,3-triamine
CID 177308550
1-[ethyl(methyl)amino]-2-methylpropan-2-ol;titanium
CID 58881638
1-N-ethyl-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 62848035
N-ethyl-N-methylethanamine;methanamine
CID 145177387
1-N,2-dimethyl-1-N-(4-methylpentyl)propane-1,2-diamine
CID 115136225
1-N,1-N-diethyl-2-methylpropane-1,2-diamine;2-methyl-1-N,1-N-dipropylpropane-1,2-diamine
CID 158877241
1-N,2-dimethyl-1-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81055039
cobalt;3-[ethyl(methyl)amino]-1,1,1-trifluoro-2-methylpropan-2-ol
CID 169074068
2-[[ethyl(methyl)amino]methyl]-2-methylbutanoic acid
CID 62272487
1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 61414760
1-N,3-N-diethyl-1-N,2,2-trimethylbutane-1,3-diamine
CID 66455349
1-N-[2-(4-fluorophenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136234

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N,2-dimethylpropane-1,2-diamine (CID 61265281) is 1-N-ethyl-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N,2-dimethylpropane-1,2-diamine is CCN(C)CC(C)(C)N.
What is the InChIKey of 1-N-ethyl-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is WGBQMTRKPCBRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-5-9(4)6-7(2,3)8/h5-6,8H2,1-4H3.
What are the key properties of 1-N-ethyl-1-N,2-dimethylpropane-1,2-diamine?
1-N-ethyl-1-N,2-dimethylpropane-1,2-diamine has a molecular weight of 130.23 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 61265281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).