ethane-1,1-diamine

C2H8N2 — CID 5242187

IUPACethane-1,1-diamine
SMILESCC(N)N
InChIInChI=1S/C2H8N2/c1-2(3)4/h2H,3-4H2,1H3
InChIKeyWVRIJHGUJNXDRZ-UHFFFAOYSA-N
MW60.10 g/mol
LogP-0.75
Rot. Bonds

About ethane-1,1-diamine

ethane-1,1-diamine (PubChem CID 5242187) has the molecular formula C2H8N2 and a molecular weight of 60.10 g/mol. Its IUPAC name is ethane-1,1-diamine.

Molecular Properties

Compound Nameethane-1,1-diamine
PubChem CID5242187
Molecular FormulaC2H8N2
Molecular Weight60.10 g/mol
Exact Mass60.07
IUPAC Nameethane-1,1-diamine
SMILESCC(N)N
InChIInChI=1S/C2H8N2/c1-2(3)4/h2H,3-4H2,1H3
InChIKeyWVRIJHGUJNXDRZ-UHFFFAOYSA-N
XLogP-0.75
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50060.10
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethanaminium
CID 3427831
1,1-Propanediamine
CID 14954072
Butane-1,1-diamine
CID 15148285
Ethanamine, conjugate acid
CID 167606
1,1,2-Ethanetriamine
CID 10001931
N-lithiodiamino-ethane
CID 19033871
Amine ethylamine
CID 19080011
Propane-1,1,3-triamine
CID 19354539
1,1,2,2-Tetraaminoethane
CID 19982486
Triaminoethylamine
CID 20537652
Diaminoethane dihydrochloride
CID 22160866
Diaminopropane dihydrochloride
CID 22219106

Frequently Asked Questions

What is the IUPAC name of ethane-1,1-diamine?
The IUPAC name of ethane-1,1-diamine (CID 5242187) is ethane-1,1-diamine.
What is the SMILES notation for ethane-1,1-diamine?
The canonical SMILES for ethane-1,1-diamine is CC(N)N.
What is the InChIKey of ethane-1,1-diamine?
The InChIKey is WVRIJHGUJNXDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2/c1-2(3)4/h2H,3-4H2,1H3.
What are the key properties of ethane-1,1-diamine?
ethane-1,1-diamine has a molecular weight of 60.10 g/mol, XLogP of -0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,1-diamine is sourced from PubChem (CID 5242187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).