4,4-dimethylazepane

C8H17N — CID 21479113

IUPAC4,4-dimethylazepane
SMILESCC1(C)CCCNCC1
InChIInChI=1S/C8H17N/c1-8(2)4-3-6-9-7-5-8/h9H,3-7H2,1-2H3
InChIKeyUVGRQCORQQWAMY-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.79
Rot. Bonds

About 4,4-dimethylazepane

4,4-dimethylazepane (PubChem CID 21479113) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 4,4-dimethylazepane.

Molecular Properties

Compound Name4,4-dimethylazepane
PubChem CID21479113
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name4,4-dimethylazepane
SMILESCC1(C)CCCNCC1
InChIInChI=1S/C8H17N/c1-8(2)4-3-6-9-7-5-8/h9H,3-7H2,1-2H3
InChIKeyUVGRQCORQQWAMY-UHFFFAOYSA-N
XLogP1.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,4-dimethylazepane 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

1H-Azepine, hexahydro-3,3,5-trimethyl-
CID 118239
4-Methylazepane
CID 19600416
4,4-Dimethylazepane hydrochloride
CID 66850259
1H-Azepine, hexahydro-3,5,5-trimethyl-
CID 118240
3-Ethyl-3-methylpiperidine
CID 17769937
4-Ethylazepane
CID 17996801
4-(Propan-2-yl)azepane
CID 19964977
3-Methyl-3-propylpyrrolidine
CID 22393542
4-Tert-butylazepane
CID 22764270
Hexahydro-3,3,5,5-tetramethyl-1H-azepine
CID 54129538
9-Azaspiro(5.6)dodecane
CID 58531234
4,4-Diethylazepane
CID 75525697

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylazepane?
The IUPAC name of 4,4-dimethylazepane (CID 21479113) is 4,4-dimethylazepane.
What is the SMILES notation for 4,4-dimethylazepane?
The canonical SMILES for 4,4-dimethylazepane is CC1(C)CCCNCC1.
What is the InChIKey of 4,4-dimethylazepane?
The InChIKey is UVGRQCORQQWAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-8(2)4-3-6-9-7-5-8/h9H,3-7H2,1-2H3.
What are the key properties of 4,4-dimethylazepane?
4,4-dimethylazepane has a molecular weight of 127.23 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylazepane is sourced from PubChem (CID 21479113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).