(2Z)-2-(1,3,3-trimethyl-6-propylbenzo[g]indol-2-ylidene)ethanimine

C20H24N2 — CID 89140860

IUPAC(2Z)-2-(1,3,3-trimethyl-6-propylbenzo[g]indol-2-ylidene)ethanimine
SMILES[H]/N=C/C=C1\N(C)c2c(ccc3c(CCC)cccc23)C1(C)C
InChIInChI=1S/C20H24N2/c1-5-7-14-8-6-9-16-15(14)10-11-17-19(16)22(4)18(12-13-21)20(17,2)3/h6,8-13,21H,5,7H2,1-4H3/b18-12-,21-13+
InChIKeyTZORFGSWJFVOMB-LBBNCXDASA-N
MW292.43 g/mol
LogP5.05
Rot. Bonds3

About (2Z)-2-(1,3,3-trimethyl-6-propylbenzo[g]indol-2-ylidene)ethanimine

(2Z)-2-(1,3,3-trimethyl-6-propylbenzo[g]indol-2-ylidene)ethanimine (PubChem CID 89140860) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is (2Z)-2-(1,3,3-trimethyl-6-propylbenzo[g]indol-2-ylidene)ethanimine.

Molecular Properties

Compound Name(2Z)-2-(1,3,3-trimethyl-6-propylbenzo[g]indol-2-ylidene)ethanimine
PubChem CID89140860
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name(2Z)-2-(1,3,3-trimethyl-6-propylbenzo[g]indol-2-ylidene)ethanimine
SMILES[H]/N=C/C=C1\N(C)c2c(ccc3c(CCC)cccc23)C1(C)C
InChIInChI=1S/C20H24N2/c1-5-7-14-8-6-9-16-15(14)10-11-17-19(16)22(4)18(12-13-21)20(17,2)3/h6,8-13,21H,5,7H2,1-4H3/b18-12-,21-13+
InChIKeyTZORFGSWJFVOMB-LBBNCXDASA-N
XLogP5.05
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.43
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1,3,3-trimethyl-6-propylbenzo[g]indol-2-ylidene)ethanimine?
The IUPAC name of (2Z)-2-(1,3,3-trimethyl-6-propylbenzo[g]indol-2-ylidene)ethanimine (CID 89140860) is (2Z)-2-(1,3,3-trimethyl-6-propylbenzo[g]indol-2-ylidene)ethanimine.
What is the SMILES notation for (2Z)-2-(1,3,3-trimethyl-6-propylbenzo[g]indol-2-ylidene)ethanimine?
The canonical SMILES for (2Z)-2-(1,3,3-trimethyl-6-propylbenzo[g]indol-2-ylidene)ethanimine is [H]/N=C/C=C1\N(C)c2c(ccc3c(CCC)cccc23)C1(C)C.
What is the InChIKey of (2Z)-2-(1,3,3-trimethyl-6-propylbenzo[g]indol-2-ylidene)ethanimine?
The InChIKey is TZORFGSWJFVOMB-LBBNCXDASA-N. The full InChI is InChI=1S/C20H24N2/c1-5-7-14-8-6-9-16-15(14)10-11-17-19(16)22(4)18(12-13-21)20(17,2)3/h6,8-13,21H,5,7H2,1-4H3/b18-12-,21-13+.
What are the key properties of (2Z)-2-(1,3,3-trimethyl-6-propylbenzo[g]indol-2-ylidene)ethanimine?
(2Z)-2-(1,3,3-trimethyl-6-propylbenzo[g]indol-2-ylidene)ethanimine has a molecular weight of 292.43 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1,3,3-trimethyl-6-propylbenzo[g]indol-2-ylidene)ethanimine is sourced from PubChem (CID 89140860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).