N-[[amino(ethyl)amino]methyl]ethanamine

C5H15N3 — CID 118974692

IUPACN-[[amino(ethyl)amino]methyl]ethanamine
SMILESCCNCN(N)CC
InChIInChI=1S/C5H15N3/c1-3-7-5-8(6)4-2/h7H,3-6H2,1-2H3
InChIKeyFWDXNGQEGNIZIL-UHFFFAOYSA-N
MW117.20 g/mol
LogP-0.25
Rot. Bonds4

About N-[[amino(ethyl)amino]methyl]ethanamine

N-[[amino(ethyl)amino]methyl]ethanamine (PubChem CID 118974692) has the molecular formula C5H15N3 and a molecular weight of 117.20 g/mol. Its IUPAC name is N-[[amino(ethyl)amino]methyl]ethanamine.

Molecular Properties

Compound NameN-[[amino(ethyl)amino]methyl]ethanamine
PubChem CID118974692
Molecular FormulaC5H15N3
Molecular Weight117.20 g/mol
Exact Mass117.13
IUPAC NameN-[[amino(ethyl)amino]methyl]ethanamine
SMILESCCNCN(N)CC
InChIInChI=1S/C5H15N3/c1-3-7-5-8(6)4-2/h7H,3-6H2,1-2H3
InChIKeyFWDXNGQEGNIZIL-UHFFFAOYSA-N
XLogP-0.25
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 ≤ 5-0.25
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-[[amino(ethyl)amino]methyl]ethanamine?
The IUPAC name of N-[[amino(ethyl)amino]methyl]ethanamine (CID 118974692) is N-[[amino(ethyl)amino]methyl]ethanamine.
What is the SMILES notation for N-[[amino(ethyl)amino]methyl]ethanamine?
The canonical SMILES for N-[[amino(ethyl)amino]methyl]ethanamine is CCNCN(N)CC.
What is the InChIKey of N-[[amino(ethyl)amino]methyl]ethanamine?
The InChIKey is FWDXNGQEGNIZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3/c1-3-7-5-8(6)4-2/h7H,3-6H2,1-2H3.
What are the key properties of N-[[amino(ethyl)amino]methyl]ethanamine?
N-[[amino(ethyl)amino]methyl]ethanamine has a molecular weight of 117.20 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[amino(ethyl)amino]methyl]ethanamine is sourced from PubChem (CID 118974692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).