ethane;3-methyl-1-propylpiperidine

C13H31N — CID 156729460

IUPACethane;3-methyl-1-propylpiperidine
SMILESCC.CC.CCCN1CCCC(C)C1
InChIInChI=1S/C9H19N.2C2H6/c1-3-6-10-7-4-5-9(2)8-10;2*1-2/h9H,3-8H2,1-2H3;2*1-2H3
InChIKeyGRFUMRIVDFYNHG-UHFFFAOYSA-N
MW201.40 g/mol
LogP4.18
Rot. Bonds2

About ethane;3-methyl-1-propylpiperidine

ethane;3-methyl-1-propylpiperidine (PubChem CID 156729460) has the molecular formula C13H31N and a molecular weight of 201.40 g/mol. Its IUPAC name is ethane;3-methyl-1-propylpiperidine.

Molecular Properties

Compound Nameethane;3-methyl-1-propylpiperidine
PubChem CID156729460
Molecular FormulaC13H31N
Molecular Weight201.40 g/mol
Exact Mass201.25
IUPAC Nameethane;3-methyl-1-propylpiperidine
SMILESCC.CC.CCCN1CCCC(C)C1
InChIInChI=1S/C9H19N.2C2H6/c1-3-6-10-7-4-5-9(2)8-10;2*1-2/h9H,3-8H2,1-2H3;2*1-2H3
InChIKeyGRFUMRIVDFYNHG-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.40
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-propylpiperidine;propane
CID 145147959
1-butyl-3-methylpiperidine;ethane
CID 143349503
ethane;1-ethyl-3-methylpiperidine
CID 91361629
N,N-diethyl-2-(3-methylpiperidin-1-yl)ethanamine
CID 123857151
1-(3,3-difluoropropyl)-3-methylpiperidine
CID 176946116
ethane;1-ethyl-3-methylazepane
CID 142283412
1-(3-fluoropropyl)-3-methylpiperidine
CID 127497514
3-methyl-1-(3,3,3-trifluoropropyl)piperidine
CID 77147847
acetic acid;3-methyl-1-propylpyrrolidine
CID 175874786
1-heptyl-3-methylpiperidine;methanesulfonic acid
CID 175583555
N-ethyl-4-(3-methylpiperidin-1-yl)butan-1-amine
CID 62437965
(3S)-1-[2-(3-methoxyazetidin-1-yl)ethyl]-3-methylpiperidine
CID 66580780

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1-propylpiperidine?
The IUPAC name of ethane;3-methyl-1-propylpiperidine (CID 156729460) is ethane;3-methyl-1-propylpiperidine.
What is the SMILES notation for ethane;3-methyl-1-propylpiperidine?
The canonical SMILES for ethane;3-methyl-1-propylpiperidine is CC.CC.CCCN1CCCC(C)C1.
What is the InChIKey of ethane;3-methyl-1-propylpiperidine?
The InChIKey is GRFUMRIVDFYNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.2C2H6/c1-3-6-10-7-4-5-9(2)8-10;2*1-2/h9H,3-8H2,1-2H3;2*1-2H3.
What are the key properties of ethane;3-methyl-1-propylpiperidine?
ethane;3-methyl-1-propylpiperidine has a molecular weight of 201.40 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1-propylpiperidine is sourced from PubChem (CID 156729460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).