ethane-1,1,2-triamine

C2H9N3 — CID 10001931

IUPACethane-1,1,2-triamine
SMILESNCC(N)N
InChIInChI=1S/C2H9N3/c3-1-2(4)5/h2H,1,3-5H2
InChIKeyPJMICNUGBHGMKQ-UHFFFAOYSA-N
MW75.12 g/mol
LogP-1.81
Rot. Bonds1

About ethane-1,1,2-triamine

ethane-1,1,2-triamine (PubChem CID 10001931) has the molecular formula C2H9N3 and a molecular weight of 75.12 g/mol. Its IUPAC name is ethane-1,1,2-triamine.

Molecular Properties

Compound Nameethane-1,1,2-triamine
PubChem CID10001931
Molecular FormulaC2H9N3
Molecular Weight75.12 g/mol
Exact Mass75.08
IUPAC Nameethane-1,1,2-triamine
SMILESNCC(N)N
InChIInChI=1S/C2H9N3/c3-1-2(4)5/h2H,1,3-5H2
InChIKeyPJMICNUGBHGMKQ-UHFFFAOYSA-N
XLogP-1.81
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.12
LogP ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane-1,1,2-triamine?
The IUPAC name of ethane-1,1,2-triamine (CID 10001931) is ethane-1,1,2-triamine.
What is the SMILES notation for ethane-1,1,2-triamine?
The canonical SMILES for ethane-1,1,2-triamine is NCC(N)N.
What is the InChIKey of ethane-1,1,2-triamine?
The InChIKey is PJMICNUGBHGMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H9N3/c3-1-2(4)5/h2H,1,3-5H2.
What are the key properties of ethane-1,1,2-triamine?
ethane-1,1,2-triamine has a molecular weight of 75.12 g/mol, XLogP of -1.81, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,1,2-triamine is sourced from PubChem (CID 10001931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).