ethane;1-ethyl-3-methylazepane

C11H25N — CID 142283412

IUPACethane;1-ethyl-3-methylazepane
SMILESCC.CCN1CCCCC(C)C1
InChIInChI=1S/C9H19N.C2H6/c1-3-10-7-5-4-6-9(2)8-10;1-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeyNLONZKKLZHHAKS-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.15
Rot. Bonds1

About ethane;1-ethyl-3-methylazepane

ethane;1-ethyl-3-methylazepane (PubChem CID 142283412) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is ethane;1-ethyl-3-methylazepane.

Molecular Properties

Compound Nameethane;1-ethyl-3-methylazepane
PubChem CID142283412
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Nameethane;1-ethyl-3-methylazepane
SMILESCC.CCN1CCCCC(C)C1
InChIInChI=1S/C9H19N.C2H6/c1-3-10-7-5-4-6-9(2)8-10;1-2/h9H,3-8H2,1-2H3;1-2H3
InChIKeyNLONZKKLZHHAKS-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;1-ethyl-3-methylazepane 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

ethane;1-ethyl-3-methylpiperidine
CID 91361629
ethane;1-ethyl-3-methylpyrrolidine
CID 90936593
ethane;3-methyl-1-propylpiperidine
CID 156729460
1-butyl-3-methylpiperidine;ethane
CID 143349503
3-methyl-1-propylpiperidine;propane
CID 145147959
3-methyl-1-(oxiran-2-ylmethyl)-azacyclopentadecane
CID 146534303
N,N-diethyl-2-(3-methylpiperidin-1-yl)ethanamine
CID 123857151
3-(3-methylazecan-1-yl)propan-1-amine
CID 10680071
ethane;1-ethylpiperidine
CID 90845344
1-(3-methylpiperidin-1-yl)propan-2-ol
CID 60886125
1-(3,3-difluoropropyl)-3-methylpiperidine
CID 176946116
1-(2,3-dimethylbutyl)-3-methylpiperidine
CID 174315397

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-3-methylazepane?
The IUPAC name of ethane;1-ethyl-3-methylazepane (CID 142283412) is ethane;1-ethyl-3-methylazepane.
What is the SMILES notation for ethane;1-ethyl-3-methylazepane?
The canonical SMILES for ethane;1-ethyl-3-methylazepane is CC.CCN1CCCCC(C)C1.
What is the InChIKey of ethane;1-ethyl-3-methylazepane?
The InChIKey is NLONZKKLZHHAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C2H6/c1-3-10-7-5-4-6-9(2)8-10;1-2/h9H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethyl-3-methylazepane?
ethane;1-ethyl-3-methylazepane has a molecular weight of 171.33 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-3-methylazepane is sourced from PubChem (CID 142283412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).