N'-[[amino(ethyl)amino]methyl]methanediamine

C4H14N4 — CID 123553011

IUPACN'-[[amino(ethyl)amino]methyl]methanediamine
SMILESCCN(N)CNCN
InChIInChI=1S/C4H14N4/c1-2-8(6)4-7-3-5/h7H,2-6H2,1H3
InChIKeyVNECTSHUJIDBCA-UHFFFAOYSA-N
MW118.18 g/mol
LogP-1.35
Rot. Bonds4

About N'-[[amino(ethyl)amino]methyl]methanediamine

N'-[[amino(ethyl)amino]methyl]methanediamine (PubChem CID 123553011) has the molecular formula C4H14N4 and a molecular weight of 118.18 g/mol. Its IUPAC name is N'-[[amino(ethyl)amino]methyl]methanediamine.

Molecular Properties

Compound NameN'-[[amino(ethyl)amino]methyl]methanediamine
PubChem CID123553011
Molecular FormulaC4H14N4
Molecular Weight118.18 g/mol
Exact Mass118.12
IUPAC NameN'-[[amino(ethyl)amino]methyl]methanediamine
SMILESCCN(N)CNCN
InChIInChI=1S/C4H14N4/c1-2-8(6)4-7-3-5/h7H,2-6H2,1H3
InChIKeyVNECTSHUJIDBCA-UHFFFAOYSA-N
XLogP-1.35
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-1.35
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': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,1-diethylhydrazine;ethene
CID 87605670
N'-ethylmethanediamine;methane
CID 160877830
5-[amino(ethyl)amino]pentan-1-amine
CID 20669758
2-N-[[amino(ethyl)amino]methyl]-4-N-ethyl-4-N-methylhexane-2,4-diamine
CID 118974907
azane;ethanamine;N-ethylethanamine;propane
CID 160512840
N'-[2-[amino(ethyl)amino]ethyl]-N'-(3-aminopropyl)propane-1,3-diamine
CID 88793333
azane;N,N-diethylethanamine;N-ethylethanamine
CID 172815091
N-[1-[amino(ethyl)amino]propan-2-yl]-2-methylpropan-2-amine
CID 168977512
1-[(E)-but-2-enyl]-1-ethylhydrazine
CID 174425396
3-[amino(ethyl)amino]-N,N-diethylpropan-1-amine
CID 102998730
2-(aminomethylamino)acetonitrile
CID 54405021
N'-(tributoxysilylmethyl)methanediamine
CID 19003757

Frequently Asked Questions

What is the IUPAC name of N'-[[amino(ethyl)amino]methyl]methanediamine?
The IUPAC name of N'-[[amino(ethyl)amino]methyl]methanediamine (CID 123553011) is N'-[[amino(ethyl)amino]methyl]methanediamine.
What is the SMILES notation for N'-[[amino(ethyl)amino]methyl]methanediamine?
The canonical SMILES for N'-[[amino(ethyl)amino]methyl]methanediamine is CCN(N)CNCN.
What is the InChIKey of N'-[[amino(ethyl)amino]methyl]methanediamine?
The InChIKey is VNECTSHUJIDBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H14N4/c1-2-8(6)4-7-3-5/h7H,2-6H2,1H3.
What are the key properties of N'-[[amino(ethyl)amino]methyl]methanediamine?
N'-[[amino(ethyl)amino]methyl]methanediamine has a molecular weight of 118.18 g/mol, XLogP of -1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[amino(ethyl)amino]methyl]methanediamine is sourced from PubChem (CID 123553011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).