N'-(ethylaminomethyl)methanediamine

C4H13N3 — CID 90377022

IUPACN'-(ethylaminomethyl)methanediamine
SMILESCCNCNCN
InChIInChI=1S/C4H13N3/c1-2-6-4-7-3-5/h6-7H,2-5H2,1H3
InChIKeyOIBXOFDZKKHMOJ-UHFFFAOYSA-N
MW103.17 g/mol
LogP-0.94
Rot. Bonds4

About N'-(ethylaminomethyl)methanediamine

N'-(ethylaminomethyl)methanediamine (PubChem CID 90377022) has the molecular formula C4H13N3 and a molecular weight of 103.17 g/mol. Its IUPAC name is N'-(ethylaminomethyl)methanediamine.

Molecular Properties

Compound NameN'-(ethylaminomethyl)methanediamine
PubChem CID90377022
Molecular FormulaC4H13N3
Molecular Weight103.17 g/mol
Exact Mass103.11
IUPAC NameN'-(ethylaminomethyl)methanediamine
SMILESCCNCNCN
InChIInChI=1S/C4H13N3/c1-2-6-4-7-3-5/h6-7H,2-5H2,1H3
InChIKeyOIBXOFDZKKHMOJ-UHFFFAOYSA-N
XLogP-0.94
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.17
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(ethylaminomethyl)methanediamine?
The IUPAC name of N'-(ethylaminomethyl)methanediamine (CID 90377022) is N'-(ethylaminomethyl)methanediamine.
What is the SMILES notation for N'-(ethylaminomethyl)methanediamine?
The canonical SMILES for N'-(ethylaminomethyl)methanediamine is CCNCNCN.
What is the InChIKey of N'-(ethylaminomethyl)methanediamine?
The InChIKey is OIBXOFDZKKHMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3/c1-2-6-4-7-3-5/h6-7H,2-5H2,1H3.
What are the key properties of N'-(ethylaminomethyl)methanediamine?
N'-(ethylaminomethyl)methanediamine has a molecular weight of 103.17 g/mol, XLogP of -0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(ethylaminomethyl)methanediamine is sourced from PubChem (CID 90377022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).