2-methyl-6-(2-methylbutan-2-yl)azepin-2-amine

C12H20N2 — CID 153078832

IUPAC2-methyl-6-(2-methylbutan-2-yl)azepin-2-amine
SMILESCCC(C)(C)C1=CC=CC(C)(N)N=C1
InChIInChI=1S/C12H20N2/c1-5-11(2,3)10-7-6-8-12(4,13)14-9-10/h6-9H,5,13H2,1-4H3
InChIKeyVMVZIGSRZVNNSP-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.66
Rot. Bonds2

About 2-methyl-6-(2-methylbutan-2-yl)azepin-2-amine

2-methyl-6-(2-methylbutan-2-yl)azepin-2-amine (PubChem CID 153078832) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-methyl-6-(2-methylbutan-2-yl)azepin-2-amine.

Molecular Properties

Compound Name2-methyl-6-(2-methylbutan-2-yl)azepin-2-amine
PubChem CID153078832
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-methyl-6-(2-methylbutan-2-yl)azepin-2-amine
SMILESCCC(C)(C)C1=CC=CC(C)(N)N=C1
InChIInChI=1S/C12H20N2/c1-5-11(2,3)10-7-6-8-12(4,13)14-9-10/h6-9H,5,13H2,1-4H3
InChIKeyVMVZIGSRZVNNSP-UHFFFAOYSA-N
XLogP2.66
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-6-(2-methylbutan-2-yl)azepin-2-amine 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

4,10-Dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine;ethane
CID 142296040
6-(2-methylbutan-2-yl)-2H-azepine
CID 143873827
6-(4,4-Dimethylcyclohepta-1,6-dien-1-yl)-2,2-dimethylazepine;ethane
CID 144703417
5,5-Dimethyl-4-(methyliminomethyl)hexa-1,3-dien-3-amine
CID 147846149
(3E,5E,8E)-5-[(Z)-5-imino-2,3-dimethylpent-3-en-2-yl]-1-methyliminodeca-3,5,8-trien-3-amine
CID 155477972
4,10-Dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine
CID 142296041
6-(4,4-Dimethylcyclohepta-1,6-dien-1-yl)-2,2-dimethylazepine
CID 144703418

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylbutan-2-yl)azepin-2-amine?
The IUPAC name of 2-methyl-6-(2-methylbutan-2-yl)azepin-2-amine (CID 153078832) is 2-methyl-6-(2-methylbutan-2-yl)azepin-2-amine.
What is the SMILES notation for 2-methyl-6-(2-methylbutan-2-yl)azepin-2-amine?
The canonical SMILES for 2-methyl-6-(2-methylbutan-2-yl)azepin-2-amine is CCC(C)(C)C1=CC=CC(C)(N)N=C1.
What is the InChIKey of 2-methyl-6-(2-methylbutan-2-yl)azepin-2-amine?
The InChIKey is VMVZIGSRZVNNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-11(2,3)10-7-6-8-12(4,13)14-9-10/h6-9H,5,13H2,1-4H3.
What are the key properties of 2-methyl-6-(2-methylbutan-2-yl)azepin-2-amine?
2-methyl-6-(2-methylbutan-2-yl)azepin-2-amine has a molecular weight of 192.31 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylbutan-2-yl)azepin-2-amine is sourced from PubChem (CID 153078832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).