2-[3-(3-aminoanilino)prop-1-enyl]-5-methylbenzene-1,4-diamine

C16H20N4 — CID 69341202

IUPAC2-[3-(3-aminoanilino)prop-1-enyl]-5-methylbenzene-1,4-diamine
SMILESCc1cc(N)c(C=CCNc2cccc(N)c2)cc1N
InChIInChI=1S/C16H20N4/c1-11-8-16(19)12(9-15(11)18)4-3-7-20-14-6-2-5-13(17)10-14/h2-6,8-10,20H,7,17-19H2,1H3
InChIKeyAIZBNUZMORIEQB-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.87
Rot. Bonds4

About 2-[3-(3-aminoanilino)prop-1-enyl]-5-methylbenzene-1,4-diamine

2-[3-(3-aminoanilino)prop-1-enyl]-5-methylbenzene-1,4-diamine (PubChem CID 69341202) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[3-(3-aminoanilino)prop-1-enyl]-5-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-[3-(3-aminoanilino)prop-1-enyl]-5-methylbenzene-1,4-diamine
PubChem CID69341202
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-[3-(3-aminoanilino)prop-1-enyl]-5-methylbenzene-1,4-diamine
SMILESCc1cc(N)c(C=CCNc2cccc(N)c2)cc1N
InChIInChI=1S/C16H20N4/c1-11-8-16(19)12(9-15(11)18)4-3-7-20-14-6-2-5-13(17)10-14/h2-6,8-10,20H,7,17-19H2,1H3
InChIKeyAIZBNUZMORIEQB-UHFFFAOYSA-N
XLogP2.87
TPSA90.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-aminoanilino)prop-1-enyl]-5-methylbenzene-1,4-diamine?
The IUPAC name of 2-[3-(3-aminoanilino)prop-1-enyl]-5-methylbenzene-1,4-diamine (CID 69341202) is 2-[3-(3-aminoanilino)prop-1-enyl]-5-methylbenzene-1,4-diamine.
What is the SMILES notation for 2-[3-(3-aminoanilino)prop-1-enyl]-5-methylbenzene-1,4-diamine?
The canonical SMILES for 2-[3-(3-aminoanilino)prop-1-enyl]-5-methylbenzene-1,4-diamine is Cc1cc(N)c(C=CCNc2cccc(N)c2)cc1N.
What is the InChIKey of 2-[3-(3-aminoanilino)prop-1-enyl]-5-methylbenzene-1,4-diamine?
The InChIKey is AIZBNUZMORIEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-11-8-16(19)12(9-15(11)18)4-3-7-20-14-6-2-5-13(17)10-14/h2-6,8-10,20H,7,17-19H2,1H3.
What are the key properties of 2-[3-(3-aminoanilino)prop-1-enyl]-5-methylbenzene-1,4-diamine?
2-[3-(3-aminoanilino)prop-1-enyl]-5-methylbenzene-1,4-diamine has a molecular weight of 268.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-aminoanilino)prop-1-enyl]-5-methylbenzene-1,4-diamine is sourced from PubChem (CID 69341202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).