ethane;1-ethyl-3-methylpiperidine

C10H23N — CID 91361629

IUPACethane;1-ethyl-3-methylpiperidine
SMILESCC.CCN1CCCC(C)C1
InChIInChI=1S/C8H17N.C2H6/c1-3-9-6-4-5-8(2)7-9;1-2/h8H,3-7H2,1-2H3;1-2H3
InChIKeyIBPATZZOVTZVOE-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.76
Rot. Bonds1

About ethane;1-ethyl-3-methylpiperidine

ethane;1-ethyl-3-methylpiperidine (PubChem CID 91361629) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is ethane;1-ethyl-3-methylpiperidine.

Molecular Properties

Compound Nameethane;1-ethyl-3-methylpiperidine
PubChem CID91361629
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Nameethane;1-ethyl-3-methylpiperidine
SMILESCC.CCN1CCCC(C)C1
InChIInChI=1S/C8H17N.C2H6/c1-3-9-6-4-5-8(2)7-9;1-2/h8H,3-7H2,1-2H3;1-2H3
InChIKeyIBPATZZOVTZVOE-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;1-ethyl-3-methylpiperidine 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-methylazepane
CID 142283412
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
N,N-diethyl-2-(3-methylpiperidin-1-yl)ethanamine
CID 123857151
1-(3,3-difluoropropyl)-3-methylpiperidine
CID 176946116
1-(3-methylpiperidin-1-yl)butan-2-one
CID 62039923
3-tert-butyl-1-ethylpiperidine;ethane
CID 155704046
1-[2-(bromomethyl)-2-propylpentyl]-3-methylpiperidine
CID 65005316
1-(3-methylpiperidin-1-yl)propan-2-ol
CID 60886125
(3S)-3-methyl-1-(3-methylbut-2-enyl)piperidine
CID 130637645

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-3-methylpiperidine?
The IUPAC name of ethane;1-ethyl-3-methylpiperidine (CID 91361629) is ethane;1-ethyl-3-methylpiperidine.
What is the SMILES notation for ethane;1-ethyl-3-methylpiperidine?
The canonical SMILES for ethane;1-ethyl-3-methylpiperidine is CC.CCN1CCCC(C)C1.
What is the InChIKey of ethane;1-ethyl-3-methylpiperidine?
The InChIKey is IBPATZZOVTZVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C2H6/c1-3-9-6-4-5-8(2)7-9;1-2/h8H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethyl-3-methylpiperidine?
ethane;1-ethyl-3-methylpiperidine has a molecular weight of 157.30 g/mol, XLogP of 2.76, 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-methylpiperidine is sourced from PubChem (CID 91361629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).