(Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]ethene-1,2-diamine

C14H16N2 — CID 164858289

IUPAC(Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]ethene-1,2-diamine
SMILESCc1cc(C#CC2CC2)ccc1/C(N)=C/N
InChIInChI=1S/C14H16N2/c1-10-8-12(5-4-11-2-3-11)6-7-13(10)14(16)9-15/h6-9,11H,2-3,15-16H2,1H3/b14-9-
InChIKeyJUHCFCCQOPAIOI-ZROIWOOFSA-N
MW212.30 g/mol
LogP1.97
Rot. Bonds1

About (Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]ethene-1,2-diamine

(Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]ethene-1,2-diamine (PubChem CID 164858289) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is (Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]ethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]ethene-1,2-diamine
PubChem CID164858289
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name(Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]ethene-1,2-diamine
SMILESCc1cc(C#CC2CC2)ccc1/C(N)=C/N
InChIInChI=1S/C14H16N2/c1-10-8-12(5-4-11-2-3-11)6-7-13(10)14(16)9-15/h6-9,11H,2-3,15-16H2,1H3/b14-9-
InChIKeyJUHCFCCQOPAIOI-ZROIWOOFSA-N
XLogP1.97
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]ethene-1,2-diamine?
The IUPAC name of (Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]ethene-1,2-diamine (CID 164858289) is (Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]ethene-1,2-diamine.
What is the SMILES notation for (Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]ethene-1,2-diamine?
The canonical SMILES for (Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]ethene-1,2-diamine is Cc1cc(C#CC2CC2)ccc1/C(N)=C/N.
What is the InChIKey of (Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]ethene-1,2-diamine?
The InChIKey is JUHCFCCQOPAIOI-ZROIWOOFSA-N. The full InChI is InChI=1S/C14H16N2/c1-10-8-12(5-4-11-2-3-11)6-7-13(10)14(16)9-15/h6-9,11H,2-3,15-16H2,1H3/b14-9-.
What are the key properties of (Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]ethene-1,2-diamine?
(Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]ethene-1,2-diamine has a molecular weight of 212.30 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[4-(2-cyclopropylethynyl)-2-methylphenyl]ethene-1,2-diamine is sourced from PubChem (CID 164858289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).