6-(4,4-dimethylcyclohepta-1,6-dien-1-yl)-2,2-dimethylazepine;ethane

C19H29N — CID 144703417

IUPAC6-(4,4-dimethylcyclohepta-1,6-dien-1-yl)-2,2-dimethylazepine;ethane
SMILESCC.CC1(C)CC=CC(C2=CC=CC(C)(C)N=C2)=CC1
InChIInChI=1S/C17H23N.C2H6/c1-16(2)10-5-7-14(9-12-16)15-8-6-11-17(3,4)18-13-15;1-2/h5-9,11,13H,10,12H2,1-4H3;1-2H3
InChIKeyNOUYHHPCOJRTSR-UHFFFAOYSA-N
MW271.45 g/mol
LogP5.66
Rot. Bonds1

About 6-(4,4-dimethylcyclohepta-1,6-dien-1-yl)-2,2-dimethylazepine;ethane

6-(4,4-dimethylcyclohepta-1,6-dien-1-yl)-2,2-dimethylazepine;ethane (PubChem CID 144703417) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 6-(4,4-dimethylcyclohepta-1,6-dien-1-yl)-2,2-dimethylazepine;ethane.

Molecular Properties

Compound Name6-(4,4-dimethylcyclohepta-1,6-dien-1-yl)-2,2-dimethylazepine;ethane
PubChem CID144703417
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name6-(4,4-dimethylcyclohepta-1,6-dien-1-yl)-2,2-dimethylazepine;ethane
SMILESCC.CC1(C)CC=CC(C2=CC=CC(C)(C)N=C2)=CC1
InChIInChI=1S/C17H23N.C2H6/c1-16(2)10-5-7-14(9-12-16)15-8-6-11-17(3,4)18-13-15;1-2/h5-9,11,13H,10,12H2,1-4H3;1-2H3
InChIKeyNOUYHHPCOJRTSR-UHFFFAOYSA-N
XLogP5.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-(4,4-dimethylcyclohepta-1,6-dien-1-yl)-2,2-dimethylazepine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-Dimethyl-10-propan-2-yl-3-azabicyclo[5.5.0]dodeca-1(12),2,5,7,9-pentaene
CID 90685841
2-Ethyl-2,6-dimethylazepine
CID 123385382
(3E)-3-ethylidene-4-methyl-7-methylidene-4-propylazepine
CID 124009066
5-ethyl-2-(5-ethyl-5-methylcyclohepta-1,3,6-trien-1-yl)-N,5-dimethylcyclohepta-2,6-dien-1-imine
CID 124031377
1-[4,7-bis[(1Z)-buta-1,3-dienyl]-1,9-bis(ethenyl)-3,6,8-trimethylspiro[4.4]nona-1,3,6,8-tetraen-2-yl]-N-methylmethanimine
CID 126513612
2,2-Dimethyl-5-(2,4,4-trimethylpentan-2-yl)azepine
CID 129067643
Ethane;4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene
CID 142156500
2,2-Dimethyl-6-(2-methylbutan-2-yl)-5-propan-2-ylazepine
CID 142268702
6-(2-methylbutan-2-yl)-2H-azepine
CID 143873827
(2Z,4Z,6Z)-11-methyl-11-propan-2-yl-10-azabicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene
CID 145149108
2-Methyl-6-(2-methylbutan-2-yl)azepin-2-amine
CID 153078832
CID 154673484
CID 154673484

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-dimethylcyclohepta-1,6-dien-1-yl)-2,2-dimethylazepine;ethane?
The IUPAC name of 6-(4,4-dimethylcyclohepta-1,6-dien-1-yl)-2,2-dimethylazepine;ethane (CID 144703417) is 6-(4,4-dimethylcyclohepta-1,6-dien-1-yl)-2,2-dimethylazepine;ethane.
What is the SMILES notation for 6-(4,4-dimethylcyclohepta-1,6-dien-1-yl)-2,2-dimethylazepine;ethane?
The canonical SMILES for 6-(4,4-dimethylcyclohepta-1,6-dien-1-yl)-2,2-dimethylazepine;ethane is CC.CC1(C)CC=CC(C2=CC=CC(C)(C)N=C2)=CC1.
What is the InChIKey of 6-(4,4-dimethylcyclohepta-1,6-dien-1-yl)-2,2-dimethylazepine;ethane?
The InChIKey is NOUYHHPCOJRTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N.C2H6/c1-16(2)10-5-7-14(9-12-16)15-8-6-11-17(3,4)18-13-15;1-2/h5-9,11,13H,10,12H2,1-4H3;1-2H3.
What are the key properties of 6-(4,4-dimethylcyclohepta-1,6-dien-1-yl)-2,2-dimethylazepine;ethane?
6-(4,4-dimethylcyclohepta-1,6-dien-1-yl)-2,2-dimethylazepine;ethane has a molecular weight of 271.45 g/mol, XLogP of 5.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-dimethylcyclohepta-1,6-dien-1-yl)-2,2-dimethylazepine;ethane is sourced from PubChem (CID 144703417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).