ethane;4-fluoro-1,3,4-trimethylazepane

C11H24FN — CID 170630795

IUPACethane;4-fluoro-1,3,4-trimethylazepane
SMILESCC.CC1CN(C)CCCC1(C)F
InChIInChI=1S/C9H18FN.C2H6/c1-8-7-11(3)6-4-5-9(8,2)10;1-2/h8H,4-7H2,1-3H3;1-2H3
InChIKeyUJMWILAABDCVAU-UHFFFAOYSA-N
MW189.32 g/mol
LogP3.10
Rot. Bonds

About ethane;4-fluoro-1,3,4-trimethylazepane

ethane;4-fluoro-1,3,4-trimethylazepane (PubChem CID 170630795) has the molecular formula C11H24FN and a molecular weight of 189.32 g/mol. Its IUPAC name is ethane;4-fluoro-1,3,4-trimethylazepane.

Molecular Properties

Compound Nameethane;4-fluoro-1,3,4-trimethylazepane
PubChem CID170630795
Molecular FormulaC11H24FN
Molecular Weight189.32 g/mol
Exact Mass189.19
IUPAC Nameethane;4-fluoro-1,3,4-trimethylazepane
SMILESCC.CC1CN(C)CCCC1(C)F
InChIInChI=1S/C9H18FN.C2H6/c1-8-7-11(3)6-4-5-9(8,2)10;1-2/h8H,4-7H2,1-3H3;1-2H3
InChIKeyUJMWILAABDCVAU-UHFFFAOYSA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;4-fluoro-1,3,4-trimethylazepane 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

(3S,4R)-4-iodo-1,3,4-trimethylpiperidine
CID 131969702
3-methyl-3-azabicyclo[5.1.0]octan-7-ol
CID 122596287
1,3,4,4,5-pentamethylpiperidine
CID 18740724
(3R)-4,4-difluoro-1-methylpiperidin-3-amine
CID 170923047
3,3-difluoro-1-methylpiperidine;ethane
CID 143170992
ethane;(2R)-1,2,4-trimethyl-1,4-diazepane
CID 142347964
(2R)-1-fluoro-1,2-dimethylcyclopropane
CID 147738297
(4S)-1,3,3,4-tetramethylpyrrolidine
CID 168820541
(3R)-1,3-dimethylpiperidine
CID 23277968
(3S)-1,3-dimethylpiperidine
CID 637971
ethane;fluoromethane;3-fluoro-1-methylpyrrolidine
CID 177157428
1-(1-methylpiperidin-3-yl)cyclobutan-1-ol
CID 115073858

Frequently Asked Questions

What is the IUPAC name of ethane;4-fluoro-1,3,4-trimethylazepane?
The IUPAC name of ethane;4-fluoro-1,3,4-trimethylazepane (CID 170630795) is ethane;4-fluoro-1,3,4-trimethylazepane.
What is the SMILES notation for ethane;4-fluoro-1,3,4-trimethylazepane?
The canonical SMILES for ethane;4-fluoro-1,3,4-trimethylazepane is CC.CC1CN(C)CCCC1(C)F.
What is the InChIKey of ethane;4-fluoro-1,3,4-trimethylazepane?
The InChIKey is UJMWILAABDCVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN.C2H6/c1-8-7-11(3)6-4-5-9(8,2)10;1-2/h8H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;4-fluoro-1,3,4-trimethylazepane?
ethane;4-fluoro-1,3,4-trimethylazepane has a molecular weight of 189.32 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-fluoro-1,3,4-trimethylazepane is sourced from PubChem (CID 170630795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).