N',N'-diamino-N-methylethane-1,2-diamine

C3H12N4 — CID 20647754

IUPACN',N'-diamino-N-methylethane-1,2-diamine
SMILESCNCCN(N)N
InChIInChI=1S/C3H12N4/c1-6-2-3-7(4)5/h6H,2-5H2,1H3
InChIKeyBILTYKYDEBMPPL-UHFFFAOYSA-N
MW104.16 g/mol
LogP-1.74
Rot. Bonds3

About N',N'-diamino-N-methylethane-1,2-diamine

N',N'-diamino-N-methylethane-1,2-diamine (PubChem CID 20647754) has the molecular formula C3H12N4 and a molecular weight of 104.16 g/mol. Its IUPAC name is N',N'-diamino-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diamino-N-methylethane-1,2-diamine
PubChem CID20647754
Molecular FormulaC3H12N4
Molecular Weight104.16 g/mol
Exact Mass104.11
IUPAC NameN',N'-diamino-N-methylethane-1,2-diamine
SMILESCNCCN(N)N
InChIInChI=1S/C3H12N4/c1-6-2-3-7(4)5/h6H,2-5H2,1H3
InChIKeyBILTYKYDEBMPPL-UHFFFAOYSA-N
XLogP-1.74
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.16
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-Methyl-2-(1-methylhydrazinyl)ethan-1-amine
CID 12347003
N-methyl-N-(2-aminoethyl)hydrazine
CID 10080325
2-[Amino(2-aminoethyl)amino]ethanamine
CID 11073396
2-[amino(methyl)amino]-N-ethylethanamine
CID 13183158
N-methyl-2-[methyl(methylamino)amino]ethanamine
CID 55288446
Ethanamine, 2-azido-N-methyl-
CID 11062315
2-[Amino(ethyl)amino]ethanamine
CID 13675394
[2-(Methylamino)ethyl]hydrazine
CID 15120194
N'-[2-(2,2-dimethylhydrazinyl)ethyl]ethane-1,2-diamine
CID 17912034
N'-[2-(diaminoamino)ethyl]ethane-1,2-diamine
CID 19014018
N-methyl-2-(2-methylhydrazinyl)ethanamine
CID 20669983
N-methyl-N'-(methyldiazenyl)ethane-1,2-diamine
CID 23213953

Frequently Asked Questions

What is the IUPAC name of N',N'-diamino-N-methylethane-1,2-diamine?
The IUPAC name of N',N'-diamino-N-methylethane-1,2-diamine (CID 20647754) is N',N'-diamino-N-methylethane-1,2-diamine.
What is the SMILES notation for N',N'-diamino-N-methylethane-1,2-diamine?
The canonical SMILES for N',N'-diamino-N-methylethane-1,2-diamine is CNCCN(N)N.
What is the InChIKey of N',N'-diamino-N-methylethane-1,2-diamine?
The InChIKey is BILTYKYDEBMPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H12N4/c1-6-2-3-7(4)5/h6H,2-5H2,1H3.
What are the key properties of N',N'-diamino-N-methylethane-1,2-diamine?
N',N'-diamino-N-methylethane-1,2-diamine has a molecular weight of 104.16 g/mol, XLogP of -1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diamino-N-methylethane-1,2-diamine is sourced from PubChem (CID 20647754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).