1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-methyl-1-(1-methyl-2,3-dihydroazepin-6-yl)-1-(4-methylphenyl)methanamine

C25H32N2 — CID 142826255

IUPAC1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-methyl-1-(1-methyl-2,3-dihydroazepin-6-yl)-1-(4-methylphenyl)methanamine
SMILESCNC(C1=CC=CC(C)(C)C=C1)(C1=CN(C)CCC=C1)c1ccc(C)cc1
InChIInChI=1S/C25H32N2/c1-20-11-13-22(14-12-20)25(26-4,23-9-6-7-18-27(5)19-23)21-10-8-16-24(2,3)17-15-21/h6,8-17,19,26H,7,18H2,1-5H3
InChIKeyONLZPGYIRGBJME-UHFFFAOYSA-N
MW360.55 g/mol
LogP5.26
Rot. Bonds4

About 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-methyl-1-(1-methyl-2,3-dihydroazepin-6-yl)-1-(4-methylphenyl)methanamine

1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-methyl-1-(1-methyl-2,3-dihydroazepin-6-yl)-1-(4-methylphenyl)methanamine (PubChem CID 142826255) has the molecular formula C25H32N2 and a molecular weight of 360.55 g/mol. Its IUPAC name is 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-methyl-1-(1-methyl-2,3-dihydroazepin-6-yl)-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-methyl-1-(1-methyl-2,3-dihydroazepin-6-yl)-1-(4-methylphenyl)methanamine
PubChem CID142826255
Molecular FormulaC25H32N2
Molecular Weight360.55 g/mol
Exact Mass360.26
IUPAC Name1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-methyl-1-(1-methyl-2,3-dihydroazepin-6-yl)-1-(4-methylphenyl)methanamine
SMILESCNC(C1=CC=CC(C)(C)C=C1)(C1=CN(C)CCC=C1)c1ccc(C)cc1
InChIInChI=1S/C25H32N2/c1-20-11-13-22(14-12-20)25(26-4,23-9-6-7-18-27(5)19-23)21-10-8-16-24(2,3)17-15-21/h6,8-17,19,26H,7,18H2,1-5H3
InChIKeyONLZPGYIRGBJME-UHFFFAOYSA-N
XLogP5.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.55
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-methyl-1-(1-methyl-2,3-dihydroazepin-6-yl)-1-(4-methylphenyl)methanamine with MolForge

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Related Compounds

3-cyclohexa-1,5-dien-1-yl-7,7-dimethylcyclohepta-1,3,5-triene
CID 145419102
ethane;7-methyl-3-[1-(4-methylphenyl)-1-phenylethyl]-7-propan-2-ylcyclohepta-1,3,5-triene
CID 144603425
4-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-1,4-thiazinane 1,1-dioxide
CID 163952146
9-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-9-(4-methylphenyl)fluorene
CID 123478090
2-[4-[4-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)piperazin-1-yl]butyl]isoindole-1,3-dione
CID 143612788
4,4,5-trimethyl-1-(4-methylphenyl)-2,3-dihydropyridine
CID 144774592
N-methylmethanamine;1,4-xylene
CID 66760370
1-[dichloro-(4-methylphenyl)methyl]-4-methylbenzene
CID 11832317
N-[(Z)-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-2-(methylamino)ethenyl]-N-(1-methylpiperidin-4-yl)formamide
CID 143294459
1-tert-butyl-4-methylbenzene
CID 163486601
1-[dichloro(fluoro)methyl]-4-methylbenzene
CID 70232782
ethane;1-methyl-4-[1,1,2,2-tetrachloro-2-(4-methylphenyl)ethyl]benzene
CID 90984706

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-methyl-1-(1-methyl-2,3-dihydroazepin-6-yl)-1-(4-methylphenyl)methanamine?
The IUPAC name of 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-methyl-1-(1-methyl-2,3-dihydroazepin-6-yl)-1-(4-methylphenyl)methanamine (CID 142826255) is 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-methyl-1-(1-methyl-2,3-dihydroazepin-6-yl)-1-(4-methylphenyl)methanamine.
What is the SMILES notation for 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-methyl-1-(1-methyl-2,3-dihydroazepin-6-yl)-1-(4-methylphenyl)methanamine?
The canonical SMILES for 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-methyl-1-(1-methyl-2,3-dihydroazepin-6-yl)-1-(4-methylphenyl)methanamine is CNC(C1=CC=CC(C)(C)C=C1)(C1=CN(C)CCC=C1)c1ccc(C)cc1.
What is the InChIKey of 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-methyl-1-(1-methyl-2,3-dihydroazepin-6-yl)-1-(4-methylphenyl)methanamine?
The InChIKey is ONLZPGYIRGBJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2/c1-20-11-13-22(14-12-20)25(26-4,23-9-6-7-18-27(5)19-23)21-10-8-16-24(2,3)17-15-21/h6,8-17,19,26H,7,18H2,1-5H3.
What are the key properties of 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-methyl-1-(1-methyl-2,3-dihydroazepin-6-yl)-1-(4-methylphenyl)methanamine?
1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-methyl-1-(1-methyl-2,3-dihydroazepin-6-yl)-1-(4-methylphenyl)methanamine has a molecular weight of 360.55 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-methyl-1-(1-methyl-2,3-dihydroazepin-6-yl)-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 142826255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).