2-[amino(methyl)amino]-N-ethylethanamine

C5H15N3 — CID 13183158

IUPAC2-[amino(methyl)amino]-N-ethylethanamine
SMILESCCNCCN(C)N
InChIInChI=1S/C5H15N3/c1-3-7-4-5-8(2)6/h7H,3-6H2,1-2H3
InChIKeyURNQIYWITQCMMA-UHFFFAOYSA-N
MW117.20 g/mol
LogP-0.60
Rot. Bonds4

About 2-[amino(methyl)amino]-N-ethylethanamine

2-[amino(methyl)amino]-N-ethylethanamine (PubChem CID 13183158) has the molecular formula C5H15N3 and a molecular weight of 117.20 g/mol. Its IUPAC name is 2-[amino(methyl)amino]-N-ethylethanamine.

Molecular Properties

Compound Name2-[amino(methyl)amino]-N-ethylethanamine
PubChem CID13183158
Molecular FormulaC5H15N3
Molecular Weight117.20 g/mol
Exact Mass117.13
IUPAC Name2-[amino(methyl)amino]-N-ethylethanamine
SMILESCCNCCN(C)N
InChIInChI=1S/C5H15N3/c1-3-7-4-5-8(2)6/h7H,3-6H2,1-2H3
InChIKeyURNQIYWITQCMMA-UHFFFAOYSA-N
XLogP-0.60
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.20
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[amino(methyl)amino]-N-ethylethanamine?
The IUPAC name of 2-[amino(methyl)amino]-N-ethylethanamine (CID 13183158) is 2-[amino(methyl)amino]-N-ethylethanamine.
What is the SMILES notation for 2-[amino(methyl)amino]-N-ethylethanamine?
The canonical SMILES for 2-[amino(methyl)amino]-N-ethylethanamine is CCNCCN(C)N.
What is the InChIKey of 2-[amino(methyl)amino]-N-ethylethanamine?
The InChIKey is URNQIYWITQCMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3/c1-3-7-4-5-8(2)6/h7H,3-6H2,1-2H3.
What are the key properties of 2-[amino(methyl)amino]-N-ethylethanamine?
2-[amino(methyl)amino]-N-ethylethanamine has a molecular weight of 117.20 g/mol, XLogP of -0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(methyl)amino]-N-ethylethanamine is sourced from PubChem (CID 13183158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).