(E)-1-N'-(4-methylphenyl)ethene-1,1,2-triamine

C9H13N3 — CID 142512509

IUPAC(E)-1-N'-(4-methylphenyl)ethene-1,1,2-triamine
SMILESCc1ccc(N/C(N)=C/N)cc1
InChIInChI=1S/C9H13N3/c1-7-2-4-8(5-3-7)12-9(11)6-10/h2-6,12H,10-11H2,1H3/b9-6+
InChIKeyGLYNTANNWNLTIJ-RMKNXTFCSA-N
MW163.22 g/mol
LogP1.12
Rot. Bonds2

About (E)-1-N'-(4-methylphenyl)ethene-1,1,2-triamine

(E)-1-N'-(4-methylphenyl)ethene-1,1,2-triamine (PubChem CID 142512509) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is (E)-1-N'-(4-methylphenyl)ethene-1,1,2-triamine.

Molecular Properties

Compound Name(E)-1-N'-(4-methylphenyl)ethene-1,1,2-triamine
PubChem CID142512509
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name(E)-1-N'-(4-methylphenyl)ethene-1,1,2-triamine
SMILESCc1ccc(N/C(N)=C/N)cc1
InChIInChI=1S/C9H13N3/c1-7-2-4-8(5-3-7)12-9(11)6-10/h2-6,12H,10-11H2,1H3/b9-6+
InChIKeyGLYNTANNWNLTIJ-RMKNXTFCSA-N
XLogP1.12
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methanamine;N-(4-methylphenyl)acetamide
CID 142152295
N-(4-methylphenyl)acetamide
CID 7684
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CID 143234839
4-carbamothioyl-N-(4-methylphenyl)benzamide
CID 24707290
2-tert-butyl-1-(4-methylphenyl)guanidine
CID 62379997
N-buta-1,3-dien-2-yl-4-methylaniline;ethane
CID 143234838
sodium;carbamothioic S-acid;hydride;methane;(4-methylphenyl)carbamothioic S-acid
CID 173334259
amino N-(4-methylphenyl)carbamate
CID 22737872
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
(E)-4-methyl-N-(4-methylphenyl)pent-2-enamide
CID 70821630
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158

Frequently Asked Questions

What is the IUPAC name of (E)-1-N'-(4-methylphenyl)ethene-1,1,2-triamine?
The IUPAC name of (E)-1-N'-(4-methylphenyl)ethene-1,1,2-triamine (CID 142512509) is (E)-1-N'-(4-methylphenyl)ethene-1,1,2-triamine.
What is the SMILES notation for (E)-1-N'-(4-methylphenyl)ethene-1,1,2-triamine?
The canonical SMILES for (E)-1-N'-(4-methylphenyl)ethene-1,1,2-triamine is Cc1ccc(N/C(N)=C/N)cc1.
What is the InChIKey of (E)-1-N'-(4-methylphenyl)ethene-1,1,2-triamine?
The InChIKey is GLYNTANNWNLTIJ-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H13N3/c1-7-2-4-8(5-3-7)12-9(11)6-10/h2-6,12H,10-11H2,1H3/b9-6+.
What are the key properties of (E)-1-N'-(4-methylphenyl)ethene-1,1,2-triamine?
(E)-1-N'-(4-methylphenyl)ethene-1,1,2-triamine has a molecular weight of 163.22 g/mol, XLogP of 1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N'-(4-methylphenyl)ethene-1,1,2-triamine is sourced from PubChem (CID 142512509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).