5-methyl-N,N-diphenylcyclohepta-1,3,5-trien-1-amine

C20H19N — CID 144696503

IUPAC5-methyl-N,N-diphenylcyclohepta-1,3,5-trien-1-amine
SMILESCC1=CCC(N(c2ccccc2)c2ccccc2)=CC=C1
InChIInChI=1S/C20H19N/c1-17-9-8-14-20(16-15-17)21(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15H,16H2,1H3
InChIKeyIYXOSWGUHONIIK-UHFFFAOYSA-N
MW273.38 g/mol
LogP5.61
Rot. Bonds3

About 5-methyl-N,N-diphenylcyclohepta-1,3,5-trien-1-amine

5-methyl-N,N-diphenylcyclohepta-1,3,5-trien-1-amine (PubChem CID 144696503) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-methyl-N,N-diphenylcyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name5-methyl-N,N-diphenylcyclohepta-1,3,5-trien-1-amine
PubChem CID144696503
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC Name5-methyl-N,N-diphenylcyclohepta-1,3,5-trien-1-amine
SMILESCC1=CCC(N(c2ccccc2)c2ccccc2)=CC=C1
InChIInChI=1S/C20H19N/c1-17-9-8-14-20(16-15-17)21(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15H,16H2,1H3
InChIKeyIYXOSWGUHONIIK-UHFFFAOYSA-N
XLogP5.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.38
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-cyclohepta-1,3,5-trien-1-yl-1-N,4-N,4-N-triphenylbenzene-1,4-diamine
CID 142961371
N-cyclopenta-1,3-dien-1-yl-N-cyclopenta-1,2,4-trien-1-ylaniline
CID 134425987
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)cyclohexa-1,3-dien-1-yl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 138636998
4-ethenyl-N,N-diphenylcyclohepta-1,4,6-trien-1-amine
CID 163491819
N-cyclohexa-1,3-dien-1-yl-4-[4-(4-methylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline
CID 134171912
N-(5-methylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 146294835
4-tert-butyl-N-cyclohexa-1,3-dien-1-yl-N-phenylaniline
CID 163765036
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
N-cyclohepta-1,3,5-trien-1-yl-N-phenyl-8-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-2-amine
CID 137469119
3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)-N-phenylaniline
CID 70917236
4-methyl-N-[4-[4-(N-(4-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]-N-phenylaniline
CID 70809771
3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-N-phenylaniline
CID 89122821

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N,N-diphenylcyclohepta-1,3,5-trien-1-amine?
The IUPAC name of 5-methyl-N,N-diphenylcyclohepta-1,3,5-trien-1-amine (CID 144696503) is 5-methyl-N,N-diphenylcyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for 5-methyl-N,N-diphenylcyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for 5-methyl-N,N-diphenylcyclohepta-1,3,5-trien-1-amine is CC1=CCC(N(c2ccccc2)c2ccccc2)=CC=C1.
What is the InChIKey of 5-methyl-N,N-diphenylcyclohepta-1,3,5-trien-1-amine?
The InChIKey is IYXOSWGUHONIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N/c1-17-9-8-14-20(16-15-17)21(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15H,16H2,1H3.
What are the key properties of 5-methyl-N,N-diphenylcyclohepta-1,3,5-trien-1-amine?
5-methyl-N,N-diphenylcyclohepta-1,3,5-trien-1-amine has a molecular weight of 273.38 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N,N-diphenylcyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 144696503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).