3,3,5,6-tetramethylazepine

C10H15N — CID 163775369

IUPAC3,3,5,6-tetramethylazepine
SMILESCC1=CN=CC(C)(C)C=C1C
InChIInChI=1S/C10H15N/c1-8-5-10(3,4)7-11-6-9(8)2/h5-7H,1-4H3
InChIKeyMJYXLBOKGJCXAY-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.95
Rot. Bonds

About 3,3,5,6-tetramethylazepine

3,3,5,6-tetramethylazepine (PubChem CID 163775369) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3,3,5,6-tetramethylazepine.

Molecular Properties

Compound Name3,3,5,6-tetramethylazepine
PubChem CID163775369
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3,3,5,6-tetramethylazepine
SMILESCC1=CN=CC(C)(C)C=C1C
InChIInChI=1S/C10H15N/c1-8-5-10(3,4)7-11-6-9(8)2/h5-7H,1-4H3
InChIKeyMJYXLBOKGJCXAY-UHFFFAOYSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-dimethyl-6,7,8,9-tetrahydro-2-benzazepine
CID 139443729
ethane;2,6,6-trimethyl-1,4-diazepine
CID 142544824
6,6-dimethylpyrido[3,4-c]azepine
CID 142944786
5,5-dimethyl-1H-pyrrolo[2,3-c]azepine;ethane
CID 143593388
7,7,9-trimethyl-2,3-dihydro-[1,4]dioxino[2,3-b]azepine
CID 144980166
5,6-dimethyl-3H-azepine
CID 54481058
1,3,3-trimethyl-6-methylidenecyclohexa-1,4-diene
CID 13425711
2-tert-butyl-6,6,7-trimethyl-1,4-diazepine
CID 142619246
2,2-dimethyl-6-propan-2-yl-1,4-thiazine
CID 123393749
7-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepin-7-amine
CID 130295912
1-methyl-1-(3,3,6,6,8-pentamethylcycloocta-1,4,7-trien-1-yl)hydrazine
CID 163795963
2,7-dimethyl-1,3-dihydropyrrolo[3,4-c]azepin-7-amine
CID 155591008

Frequently Asked Questions

What is the IUPAC name of 3,3,5,6-tetramethylazepine?
The IUPAC name of 3,3,5,6-tetramethylazepine (CID 163775369) is 3,3,5,6-tetramethylazepine.
What is the SMILES notation for 3,3,5,6-tetramethylazepine?
The canonical SMILES for 3,3,5,6-tetramethylazepine is CC1=CN=CC(C)(C)C=C1C.
What is the InChIKey of 3,3,5,6-tetramethylazepine?
The InChIKey is MJYXLBOKGJCXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-8-5-10(3,4)7-11-6-9(8)2/h5-7H,1-4H3.
What are the key properties of 3,3,5,6-tetramethylazepine?
3,3,5,6-tetramethylazepine has a molecular weight of 149.24 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,6-tetramethylazepine is sourced from PubChem (CID 163775369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).