N-methyl-2-[2-methyl-10-(1,3,3-trimethylindol-2-ylidene)deca-4,6,8-trien-2-yl]aniline

C29H36N2 — CID 123300574

IUPACN-methyl-2-[2-methyl-10-(1,3,3-trimethylindol-2-ylidene)deca-4,6,8-trien-2-yl]aniline
SMILESCNc1ccccc1C(C)(C)CC=CC=CC=CC=C1N(C)c2ccccc2C1(C)C
InChIInChI=1S/C29H36N2/c1-28(2,23-17-12-14-19-25(23)30-5)22-16-10-8-7-9-11-21-27-29(3,4)24-18-13-15-20-26(24)31(27)6/h7-21,30H,22H2,1-6H3
InChIKeyVHXYUMYDHUXPOY-UHFFFAOYSA-N
MW412.62 g/mol
LogP7.38
Rot. Bonds7

About N-methyl-2-[2-methyl-10-(1,3,3-trimethylindol-2-ylidene)deca-4,6,8-trien-2-yl]aniline

N-methyl-2-[2-methyl-10-(1,3,3-trimethylindol-2-ylidene)deca-4,6,8-trien-2-yl]aniline (PubChem CID 123300574) has the molecular formula C29H36N2 and a molecular weight of 412.62 g/mol. Its IUPAC name is N-methyl-2-[2-methyl-10-(1,3,3-trimethylindol-2-ylidene)deca-4,6,8-trien-2-yl]aniline.

Molecular Properties

Compound NameN-methyl-2-[2-methyl-10-(1,3,3-trimethylindol-2-ylidene)deca-4,6,8-trien-2-yl]aniline
PubChem CID123300574
Molecular FormulaC29H36N2
Molecular Weight412.62 g/mol
Exact Mass412.29
IUPAC NameN-methyl-2-[2-methyl-10-(1,3,3-trimethylindol-2-ylidene)deca-4,6,8-trien-2-yl]aniline
SMILESCNc1ccccc1C(C)(C)CC=CC=CC=CC=C1N(C)c2ccccc2C1(C)C
InChIInChI=1S/C29H36N2/c1-28(2,23-17-12-14-19-25(23)30-5)22-16-10-8-7-9-11-21-27-29(3,4)24-18-13-15-20-26(24)31(27)6/h7-21,30H,22H2,1-6H3
InChIKeyVHXYUMYDHUXPOY-UHFFFAOYSA-N
XLogP7.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.62
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794
dimethyl-[6-(1,3,3-trimethylindol-2-ylidene)hexa-2,4-dienylidene]azanium
CID 2770749
tert-butyl 2-[(5E)-2-[(E)-4-methyl-4-[2-(methylamino)phenyl]pent-1-enyl]-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopenten-1-yl]imino-1,3-thiazolidine-3-carboxylate
CID 143373404
N-(2-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 5215508
2-[4-(5-amino-1,3,3-trimethylindol-2-ylidene)-2-methylbutan-2-yl]-1-N-methylbenzene-1,4-diamine
CID 89209266
N-[(1E,3E,5E,7E)-7-[3-[(4-ethenylphenyl)methyl]-1,3-dimethylindol-2-ylidene]hepta-1,3,5-trienyl]-2-[1-(4-ethenylphenyl)-2-methylpropan-2-yl]aniline
CID 145312935
(2E,4E,6Z)-2-methyl-6-(1,3,3-trimethylindol-2-ylidene)hexa-2,4-dienal
CID 102091783
1,3,3-trimethyl-2-[7-(1,1,3-trimethylinden-2-yl)hepta-2,4,6-trienylidene]indole
CID 59902058
1,3,3-trimethyl-2-[5-(1,1,3-trimethylinden-2-yl)penta-2,4-dienylidene]indole
CID 59954019
[2-[(E)-5-[(3E)-2-chloro-3-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopenten-1-yl]-2-methylpent-4-en-2-yl]phenyl]-methylazanium
CID 143723588
1,3,3-trimethyl-2-[7-(1,3,3-trimethylindol-1-ium-2-yl)hepta-2,4,6-trienylidene]indole chloride
CID 73182634
dimethyl-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium
CID 18526952

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-methyl-10-(1,3,3-trimethylindol-2-ylidene)deca-4,6,8-trien-2-yl]aniline?
The IUPAC name of N-methyl-2-[2-methyl-10-(1,3,3-trimethylindol-2-ylidene)deca-4,6,8-trien-2-yl]aniline (CID 123300574) is N-methyl-2-[2-methyl-10-(1,3,3-trimethylindol-2-ylidene)deca-4,6,8-trien-2-yl]aniline.
What is the SMILES notation for N-methyl-2-[2-methyl-10-(1,3,3-trimethylindol-2-ylidene)deca-4,6,8-trien-2-yl]aniline?
The canonical SMILES for N-methyl-2-[2-methyl-10-(1,3,3-trimethylindol-2-ylidene)deca-4,6,8-trien-2-yl]aniline is CNc1ccccc1C(C)(C)CC=CC=CC=CC=C1N(C)c2ccccc2C1(C)C.
What is the InChIKey of N-methyl-2-[2-methyl-10-(1,3,3-trimethylindol-2-ylidene)deca-4,6,8-trien-2-yl]aniline?
The InChIKey is VHXYUMYDHUXPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2/c1-28(2,23-17-12-14-19-25(23)30-5)22-16-10-8-7-9-11-21-27-29(3,4)24-18-13-15-20-26(24)31(27)6/h7-21,30H,22H2,1-6H3.
What are the key properties of N-methyl-2-[2-methyl-10-(1,3,3-trimethylindol-2-ylidene)deca-4,6,8-trien-2-yl]aniline?
N-methyl-2-[2-methyl-10-(1,3,3-trimethylindol-2-ylidene)deca-4,6,8-trien-2-yl]aniline has a molecular weight of 412.62 g/mol, XLogP of 7.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-methyl-10-(1,3,3-trimethylindol-2-ylidene)deca-4,6,8-trien-2-yl]aniline is sourced from PubChem (CID 123300574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).