N-cyclohepta-1,4,6-trien-1-yl-2,3-dimethyl-N-(4-methylphenyl)cyclohepta-1,6-dien-1-amine

C23H27N — CID 145203919

IUPACN-cyclohepta-1,4,6-trien-1-yl-2,3-dimethyl-N-(4-methylphenyl)cyclohepta-1,6-dien-1-amine
SMILESCC1=C(N(C2=CCC=CC=C2)c2ccc(C)cc2)C=CCCC1C
InChIInChI=1S/C23H27N/c1-18-14-16-22(17-15-18)24(21-11-6-4-5-7-12-21)23-13-9-8-10-19(2)20(23)3/h4-6,9,11-17,19H,7-8,10H2,1-3H3
InChIKeyZLTGPSNFGGOMHC-UHFFFAOYSA-N
MW317.48 g/mol
LogP6.46
Rot. Bonds3

About N-cyclohepta-1,4,6-trien-1-yl-2,3-dimethyl-N-(4-methylphenyl)cyclohepta-1,6-dien-1-amine

N-cyclohepta-1,4,6-trien-1-yl-2,3-dimethyl-N-(4-methylphenyl)cyclohepta-1,6-dien-1-amine (PubChem CID 145203919) has the molecular formula C23H27N and a molecular weight of 317.48 g/mol. Its IUPAC name is N-cyclohepta-1,4,6-trien-1-yl-2,3-dimethyl-N-(4-methylphenyl)cyclohepta-1,6-dien-1-amine.

Molecular Properties

Compound NameN-cyclohepta-1,4,6-trien-1-yl-2,3-dimethyl-N-(4-methylphenyl)cyclohepta-1,6-dien-1-amine
PubChem CID145203919
Molecular FormulaC23H27N
Molecular Weight317.48 g/mol
Exact Mass317.21
IUPAC NameN-cyclohepta-1,4,6-trien-1-yl-2,3-dimethyl-N-(4-methylphenyl)cyclohepta-1,6-dien-1-amine
SMILESCC1=C(N(C2=CCC=CC=C2)c2ccc(C)cc2)C=CCCC1C
InChIInChI=1S/C23H27N/c1-18-14-16-22(17-15-18)24(21-11-6-4-5-7-12-21)23-13-9-8-10-19(2)20(23)3/h4-6,9,11-17,19H,7-8,10H2,1-3H3
InChIKeyZLTGPSNFGGOMHC-UHFFFAOYSA-N
XLogP6.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.48
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclohexa-1,5-dien-1-yl-4-methyl-N-phenylaniline;ethane
CID 144615927
N-(4-cyclohex-3-en-1-ylphenyl)-N-[4-(4-methylphenyl)phenyl]cyclohepta-1,6-dien-1-amine
CID 146536466
N-ethyl-N,4-dimethylaniline;2-methylcyclohepta-1,3,5-triene;N-methylmethanimine
CID 143238386
4-bromo-N-cyclohepta-1,4,6-trien-1-yl-N-phenylcyclohepta-1,4,6-trien-1-amine
CID 166778176
N-[4-[4-[4-[cyclohepta-1,3,6-trien-1-yl(cyclohepta-1,4,6-trien-1-yl)amino]phenyl]phenyl]phenyl]-N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine
CID 143144037
1-methyl-4-[(Z,4E)-4-(6-methylcyclohex-2-en-1-ylidene)but-2-enyl]benzene
CID 144960137
ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596
N-cyclohexa-1,3-dien-1-yl-4-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)aniline
CID 90760439
ethane;5-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)cyclohepta-1,6-dien-1-amine
CID 144799096
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 129111085
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159454269
6-N-(4-methylcyclohexa-1,5-dien-1-yl)-6-N,12-N-bis(4-methylphenyl)-12-N-phenylchrysene-6,12-diamine
CID 155198350

Frequently Asked Questions

What is the IUPAC name of N-cyclohepta-1,4,6-trien-1-yl-2,3-dimethyl-N-(4-methylphenyl)cyclohepta-1,6-dien-1-amine?
The IUPAC name of N-cyclohepta-1,4,6-trien-1-yl-2,3-dimethyl-N-(4-methylphenyl)cyclohepta-1,6-dien-1-amine (CID 145203919) is N-cyclohepta-1,4,6-trien-1-yl-2,3-dimethyl-N-(4-methylphenyl)cyclohepta-1,6-dien-1-amine.
What is the SMILES notation for N-cyclohepta-1,4,6-trien-1-yl-2,3-dimethyl-N-(4-methylphenyl)cyclohepta-1,6-dien-1-amine?
The canonical SMILES for N-cyclohepta-1,4,6-trien-1-yl-2,3-dimethyl-N-(4-methylphenyl)cyclohepta-1,6-dien-1-amine is CC1=C(N(C2=CCC=CC=C2)c2ccc(C)cc2)C=CCCC1C.
What is the InChIKey of N-cyclohepta-1,4,6-trien-1-yl-2,3-dimethyl-N-(4-methylphenyl)cyclohepta-1,6-dien-1-amine?
The InChIKey is ZLTGPSNFGGOMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N/c1-18-14-16-22(17-15-18)24(21-11-6-4-5-7-12-21)23-13-9-8-10-19(2)20(23)3/h4-6,9,11-17,19H,7-8,10H2,1-3H3.
What are the key properties of N-cyclohepta-1,4,6-trien-1-yl-2,3-dimethyl-N-(4-methylphenyl)cyclohepta-1,6-dien-1-amine?
N-cyclohepta-1,4,6-trien-1-yl-2,3-dimethyl-N-(4-methylphenyl)cyclohepta-1,6-dien-1-amine has a molecular weight of 317.48 g/mol, XLogP of 6.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohepta-1,4,6-trien-1-yl-2,3-dimethyl-N-(4-methylphenyl)cyclohepta-1,6-dien-1-amine is sourced from PubChem (CID 145203919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).