1-[(2-aminoethylamino)-methylamino]ethanamine

C5H16N4 — CID 118916520

IUPAC1-[(2-aminoethylamino)-methylamino]ethanamine
SMILESCC(N)N(C)NCCN
InChIInChI=1S/C5H16N4/c1-5(7)9(2)8-4-3-6/h5,8H,3-4,6-7H2,1-2H3
InChIKeyMHTLFQVILCFMKU-UHFFFAOYSA-N
MW132.21 g/mol
LogP-1.31
Rot. Bonds4

About 1-[(2-aminoethylamino)-methylamino]ethanamine

1-[(2-aminoethylamino)-methylamino]ethanamine (PubChem CID 118916520) has the molecular formula C5H16N4 and a molecular weight of 132.21 g/mol. Its IUPAC name is 1-[(2-aminoethylamino)-methylamino]ethanamine.

Molecular Properties

Compound Name1-[(2-aminoethylamino)-methylamino]ethanamine
PubChem CID118916520
Molecular FormulaC5H16N4
Molecular Weight132.21 g/mol
Exact Mass132.14
IUPAC Name1-[(2-aminoethylamino)-methylamino]ethanamine
SMILESCC(N)N(C)NCCN
InChIInChI=1S/C5H16N4/c1-5(7)9(2)8-4-3-6/h5,8H,3-4,6-7H2,1-2H3
InChIKeyMHTLFQVILCFMKU-UHFFFAOYSA-N
XLogP-1.31
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Diazene, [1-(2,2-dimethylhydrazino)ethyl]ethyl-
CID 541807
2-[(1S)-1-(ethyldiazenyl)ethyl]-1,1-dimethylhydrazine
CID 76763943
(1-Aminopropylamino)-trimethylazanium
CID 19898485
1-(2,2-Dimethylhydrazinyl)ethanamine
CID 22460097
1-hydrazinyl-N',N'-dimethylethane-1,2-diamine
CID 57104181
Ethane-1,2-diamine;2-ethyl-1,1-dimethylhydrazine
CID 87197718
2-[Amino(ethyl)amino]ethane-1,1,1,2-tetramine
CID 87827712
1-N',1-N'-bis(ethylamino)ethane-1,1-diamine
CID 88836767
1-(2-Ethylhydrazinyl)ethane-1,1,2,2-tetramine
CID 89000560
N-methyl-1-[2-(methylaminomethyl)hydrazinyl]ethanamine
CID 89207504
2-[(2-Ethylhydrazinyl)methyl]-1,1-dimethylhydrazine
CID 90243433
N-methyl-1-(2-methylhydrazinyl)ethanamine
CID 90437285

Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminoethylamino)-methylamino]ethanamine?
The IUPAC name of 1-[(2-aminoethylamino)-methylamino]ethanamine (CID 118916520) is 1-[(2-aminoethylamino)-methylamino]ethanamine.
What is the SMILES notation for 1-[(2-aminoethylamino)-methylamino]ethanamine?
The canonical SMILES for 1-[(2-aminoethylamino)-methylamino]ethanamine is CC(N)N(C)NCCN.
What is the InChIKey of 1-[(2-aminoethylamino)-methylamino]ethanamine?
The InChIKey is MHTLFQVILCFMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H16N4/c1-5(7)9(2)8-4-3-6/h5,8H,3-4,6-7H2,1-2H3.
What are the key properties of 1-[(2-aminoethylamino)-methylamino]ethanamine?
1-[(2-aminoethylamino)-methylamino]ethanamine has a molecular weight of 132.21 g/mol, XLogP of -1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminoethylamino)-methylamino]ethanamine is sourced from PubChem (CID 118916520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).