2-N-(2-aminoethyl)benzene-1,2,4-triamine

C8H14N4 — CID 57040010

IUPAC2-N-(2-aminoethyl)benzene-1,2,4-triamine
SMILESNCCNc1cc(N)ccc1N
InChIInChI=1S/C8H14N4/c9-3-4-12-8-5-6(10)1-2-7(8)11/h1-2,5,12H,3-4,9-11H2
InChIKeyGWXKAECSGHZHGY-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.22
Rot. Bonds3

About 2-N-(2-aminoethyl)benzene-1,2,4-triamine

2-N-(2-aminoethyl)benzene-1,2,4-triamine (PubChem CID 57040010) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 2-N-(2-aminoethyl)benzene-1,2,4-triamine.

Molecular Properties

Compound Name2-N-(2-aminoethyl)benzene-1,2,4-triamine
PubChem CID57040010
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name2-N-(2-aminoethyl)benzene-1,2,4-triamine
SMILESNCCNc1cc(N)ccc1N
InChIInChI=1S/C8H14N4/c9-3-4-12-8-5-6(10)1-2-7(8)11/h1-2,5,12H,3-4,9-11H2
InChIKeyGWXKAECSGHZHGY-UHFFFAOYSA-N
XLogP0.22
TPSA90.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.22
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

2-N-(2-aminoethyl)-4-methylbenzene-1,2-diamine
CID 23104425
4-N-(2-aminoethyl)naphthalene-1,4-diamine
CID 146264180
ethane;2-hydrazinylbenzene-1,4-diamine
CID 142054755
1-N-(2-aminoethyl)-2-nitrobenzene-1,4-diamine;ethane;propane
CID 162439486
3-(2-amino-5-chloroanilino)propan-1-ol
CID 20506299
4-methyl-2-N-propylbenzene-1,2-diamine
CID 58056820
4-N-(2-aminoethyl)-2-(aminomethyl)benzene-1,4-diamine
CID 151839245
N'-(2-chloro-4-methylphenyl)ethane-1,2-diamine
CID 82504176
4-bromo-2-N-propylbenzene-1,2-diamine
CID 65343342
N'-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 12666397
8-N-(2-aminoethyl)isoquinoline-5,8-diamine
CID 103138118
4-chloro-2-N-(2-phenylethyl)benzene-1,2-diamine
CID 115468497

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminoethyl)benzene-1,2,4-triamine?
The IUPAC name of 2-N-(2-aminoethyl)benzene-1,2,4-triamine (CID 57040010) is 2-N-(2-aminoethyl)benzene-1,2,4-triamine.
What is the SMILES notation for 2-N-(2-aminoethyl)benzene-1,2,4-triamine?
The canonical SMILES for 2-N-(2-aminoethyl)benzene-1,2,4-triamine is NCCNc1cc(N)ccc1N.
What is the InChIKey of 2-N-(2-aminoethyl)benzene-1,2,4-triamine?
The InChIKey is GWXKAECSGHZHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c9-3-4-12-8-5-6(10)1-2-7(8)11/h1-2,5,12H,3-4,9-11H2.
What are the key properties of 2-N-(2-aminoethyl)benzene-1,2,4-triamine?
2-N-(2-aminoethyl)benzene-1,2,4-triamine has a molecular weight of 166.23 g/mol, XLogP of 0.22, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminoethyl)benzene-1,2,4-triamine is sourced from PubChem (CID 57040010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).