benzene-1,2-diamine;ethane-1,2-diamine

C8H16N4 — CID 20510389

IUPACbenzene-1,2-diamine;ethane-1,2-diamine
SMILESNCCN.Nc1ccccc1N
InChIInChI=1S/C6H8N2.C2H8N2/c7-5-3-1-2-4-6(5)8;3-1-2-4/h1-4H,7-8H2;1-4H2
InChIKeyJCAWSUJCJVBDBW-UHFFFAOYSA-N
MW168.24 g/mol
LogP-0.25
Rot. Bonds1

About benzene-1,2-diamine;ethane-1,2-diamine

benzene-1,2-diamine;ethane-1,2-diamine (PubChem CID 20510389) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is benzene-1,2-diamine;ethane-1,2-diamine.

Molecular Properties

Compound Namebenzene-1,2-diamine;ethane-1,2-diamine
PubChem CID20510389
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Namebenzene-1,2-diamine;ethane-1,2-diamine
SMILESNCCN.Nc1ccccc1N
InChIInChI=1S/C6H8N2.C2H8N2/c7-5-3-1-2-4-6(5)8;3-1-2-4/h1-4H,7-8H2;1-4H2
InChIKeyJCAWSUJCJVBDBW-UHFFFAOYSA-N
XLogP-0.25
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

benzene-1,2-diamine;tetrahydrofluoride
CID 174941051
benzene-1,2-diamine;zinc
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CID 175145864
CID 175440029
CID 175440029
benzene-1,2-diamine;hydrogen peroxide;hydrochloride
CID 175004407
benzene-1,2-diamine;decan-1-amine
CID 174921659
2-aminobenzaldehyde;ethane-1,2-diamine;nickel
CID 87671040
benzene-1,2-diamine;N-methylmethanamine
CID 174458514
2-(2-aminoethyl)aniline;ethane
CID 90745291
2-[2-(2-aminoethoxy)phenoxy]ethanamine
CID 2054448
2-(aminomethyl)aniline;hydrochloride
CID 69170371
benzene-1,2-diol;ethane-1,2-diamine;methane
CID 175003678

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diamine;ethane-1,2-diamine?
The IUPAC name of benzene-1,2-diamine;ethane-1,2-diamine (CID 20510389) is benzene-1,2-diamine;ethane-1,2-diamine.
What is the SMILES notation for benzene-1,2-diamine;ethane-1,2-diamine?
The canonical SMILES for benzene-1,2-diamine;ethane-1,2-diamine is NCCN.Nc1ccccc1N.
What is the InChIKey of benzene-1,2-diamine;ethane-1,2-diamine?
The InChIKey is JCAWSUJCJVBDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.C2H8N2/c7-5-3-1-2-4-6(5)8;3-1-2-4/h1-4H,7-8H2;1-4H2.
What are the key properties of benzene-1,2-diamine;ethane-1,2-diamine?
benzene-1,2-diamine;ethane-1,2-diamine has a molecular weight of 168.24 g/mol, XLogP of -0.25, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diamine;ethane-1,2-diamine is sourced from PubChem (CID 20510389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).