ethane-1,2-diamine

C4H16N4 — CID 6451252

IUPACethane-1,2-diamine
SMILESNCCN.NCCN
InChIInChI=1S/2C2H8N2/c2*3-1-2-4/h2*1-4H2
InChIKeyDPRMFUAMSRXGDE-UHFFFAOYSA-N
MW120.20 g/mol
LogP-2.19
Rot. Bonds2

About ethane-1,2-diamine

ethane-1,2-diamine (PubChem CID 6451252) has the molecular formula C4H16N4 and a molecular weight of 120.20 g/mol. Its IUPAC name is ethane-1,2-diamine.

Molecular Properties

Compound Nameethane-1,2-diamine
PubChem CID6451252
Molecular FormulaC4H16N4
Molecular Weight120.20 g/mol
Exact Mass120.14
IUPAC Nameethane-1,2-diamine
SMILESNCCN.NCCN
InChIInChI=1S/2C2H8N2/c2*3-1-2-4/h2*1-4H2
InChIKeyDPRMFUAMSRXGDE-UHFFFAOYSA-N
XLogP-2.19
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.20
LogP ≤ 5-2.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine?
The IUPAC name of ethane-1,2-diamine (CID 6451252) is ethane-1,2-diamine.
What is the SMILES notation for ethane-1,2-diamine?
The canonical SMILES for ethane-1,2-diamine is NCCN.NCCN.
What is the InChIKey of ethane-1,2-diamine?
The InChIKey is DPRMFUAMSRXGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H8N2/c2*3-1-2-4/h2*1-4H2.
What are the key properties of ethane-1,2-diamine?
ethane-1,2-diamine has a molecular weight of 120.20 g/mol, XLogP of -2.19, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine is sourced from PubChem (CID 6451252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).