4-methyl-3-[(Z)-prop-1-enyl]-N-[1-(8,8,10-trimethyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-13-yl)ethenyl]aniline

C29H32N2 — CID 143030364

IUPAC4-methyl-3-[(Z)-prop-1-enyl]-N-[1-(8,8,10-trimethyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-13-yl)ethenyl]aniline
SMILESC=C(Nc1ccc(C)c(/C=C\C)c1)c1ccc2c(c1)C(C)CC(C)(C)c1cccnc1-2
InChIInChI=1S/C29H32N2/c1-7-9-22-16-24(13-11-19(22)2)31-21(4)23-12-14-25-26(17-23)20(3)18-29(5,6)27-10-8-15-30-28(25)27/h7-17,20,31H,4,18H2,1-3,5-6H3/b9-7-
InChIKeyZHGQQKOKNDQBLQ-CLFYSBASSA-N
MW408.59 g/mol
LogP7.96
Rot. Bonds4

About 4-methyl-3-[(Z)-prop-1-enyl]-N-[1-(8,8,10-trimethyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-13-yl)ethenyl]aniline

4-methyl-3-[(Z)-prop-1-enyl]-N-[1-(8,8,10-trimethyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-13-yl)ethenyl]aniline (PubChem CID 143030364) has the molecular formula C29H32N2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 4-methyl-3-[(Z)-prop-1-enyl]-N-[1-(8,8,10-trimethyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-13-yl)ethenyl]aniline.

Molecular Properties

Compound Name4-methyl-3-[(Z)-prop-1-enyl]-N-[1-(8,8,10-trimethyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-13-yl)ethenyl]aniline
PubChem CID143030364
Molecular FormulaC29H32N2
Molecular Weight408.59 g/mol
Exact Mass408.26
IUPAC Name4-methyl-3-[(Z)-prop-1-enyl]-N-[1-(8,8,10-trimethyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-13-yl)ethenyl]aniline
SMILESC=C(Nc1ccc(C)c(/C=C\C)c1)c1ccc2c(c1)C(C)CC(C)(C)c1cccnc1-2
InChIInChI=1S/C29H32N2/c1-7-9-22-16-24(13-11-19(22)2)31-21(4)23-12-14-25-26(17-23)20(3)18-29(5,6)27-10-8-15-30-28(25)27/h7-17,20,31H,4,18H2,1-3,5-6H3/b9-7-
InChIKeyZHGQQKOKNDQBLQ-CLFYSBASSA-N
XLogP7.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 57.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-3-[(Z)-prop-1-enyl]-N-[1-(8,8,10-trimethyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-13-yl)ethenyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(Z)-prop-1-enyl]-N-[1-(8,8,10-trimethyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-13-yl)ethenyl]aniline?
The IUPAC name of 4-methyl-3-[(Z)-prop-1-enyl]-N-[1-(8,8,10-trimethyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-13-yl)ethenyl]aniline (CID 143030364) is 4-methyl-3-[(Z)-prop-1-enyl]-N-[1-(8,8,10-trimethyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-13-yl)ethenyl]aniline.
What is the SMILES notation for 4-methyl-3-[(Z)-prop-1-enyl]-N-[1-(8,8,10-trimethyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-13-yl)ethenyl]aniline?
The canonical SMILES for 4-methyl-3-[(Z)-prop-1-enyl]-N-[1-(8,8,10-trimethyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-13-yl)ethenyl]aniline is C=C(Nc1ccc(C)c(/C=C\C)c1)c1ccc2c(c1)C(C)CC(C)(C)c1cccnc1-2.
What is the InChIKey of 4-methyl-3-[(Z)-prop-1-enyl]-N-[1-(8,8,10-trimethyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-13-yl)ethenyl]aniline?
The InChIKey is ZHGQQKOKNDQBLQ-CLFYSBASSA-N. The full InChI is InChI=1S/C29H32N2/c1-7-9-22-16-24(13-11-19(22)2)31-21(4)23-12-14-25-26(17-23)20(3)18-29(5,6)27-10-8-15-30-28(25)27/h7-17,20,31H,4,18H2,1-3,5-6H3/b9-7-.
What are the key properties of 4-methyl-3-[(Z)-prop-1-enyl]-N-[1-(8,8,10-trimethyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-13-yl)ethenyl]aniline?
4-methyl-3-[(Z)-prop-1-enyl]-N-[1-(8,8,10-trimethyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-13-yl)ethenyl]aniline has a molecular weight of 408.59 g/mol, XLogP of 7.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(Z)-prop-1-enyl]-N-[1-(8,8,10-trimethyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-13-yl)ethenyl]aniline is sourced from PubChem (CID 143030364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).