1-[amino(methyl)amino]-N,N-dimethylethanamine

C5H15N3 — CID 155062112

IUPAC1-[amino(methyl)amino]-N,N-dimethylethanamine
SMILESCC(N(C)C)N(C)N
InChIInChI=1S/C5H15N3/c1-5(7(2)3)8(4)6/h5H,6H2,1-4H3
InChIKeyFLCYMCGXESHUFO-UHFFFAOYSA-N
MW117.20 g/mol
LogP-0.30
Rot. Bonds2

About 1-[amino(methyl)amino]-N,N-dimethylethanamine

1-[amino(methyl)amino]-N,N-dimethylethanamine (PubChem CID 155062112) has the molecular formula C5H15N3 and a molecular weight of 117.20 g/mol. Its IUPAC name is 1-[amino(methyl)amino]-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-[amino(methyl)amino]-N,N-dimethylethanamine
PubChem CID155062112
Molecular FormulaC5H15N3
Molecular Weight117.20 g/mol
Exact Mass117.13
IUPAC Name1-[amino(methyl)amino]-N,N-dimethylethanamine
SMILESCC(N(C)C)N(C)N
InChIInChI=1S/C5H15N3/c1-5(7(2)3)8(4)6/h5H,6H2,1-4H3
InChIKeyFLCYMCGXESHUFO-UHFFFAOYSA-N
XLogP-0.30
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.20
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N',1-N'-bis[1-(dimethylamino)ethyl]-1-N,1-N-dimethylethane-1,1-diamine
CID 22572098
1-N'-iodo-1-N,1-N,1-N'-trimethylethane-1,1-diamine
CID 154940046
CID 168860991
CID 168860991
N-amino-N-(dimethylamino)methanamine
CID 57458956
1,1-dimethylhydrazine
CID 5976
(2R)-2-[amino(methyl)amino]propanal
CID 88863582
N,N-dimethylpropan-2-amine;ethane
CID 143195472
N-amino-N-[methyl(propan-2-yl)amino]methanamine
CID 151140800
2-N,2-N,3-N,3-N-tetramethylbutane-2,3-diamine;hydrochloride
CID 175121214
(1S)-1-(dimethylamino)ethanol
CID 93477761
(1R)-1-(dimethylamino)ethanol
CID 93477762
4-[amino(methyl)amino]-2,5-dimethylhexan-3-ol
CID 91618735

Frequently Asked Questions

What is the IUPAC name of 1-[amino(methyl)amino]-N,N-dimethylethanamine?
The IUPAC name of 1-[amino(methyl)amino]-N,N-dimethylethanamine (CID 155062112) is 1-[amino(methyl)amino]-N,N-dimethylethanamine.
What is the SMILES notation for 1-[amino(methyl)amino]-N,N-dimethylethanamine?
The canonical SMILES for 1-[amino(methyl)amino]-N,N-dimethylethanamine is CC(N(C)C)N(C)N.
What is the InChIKey of 1-[amino(methyl)amino]-N,N-dimethylethanamine?
The InChIKey is FLCYMCGXESHUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3/c1-5(7(2)3)8(4)6/h5H,6H2,1-4H3.
What are the key properties of 1-[amino(methyl)amino]-N,N-dimethylethanamine?
1-[amino(methyl)amino]-N,N-dimethylethanamine has a molecular weight of 117.20 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(methyl)amino]-N,N-dimethylethanamine is sourced from PubChem (CID 155062112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).