ethane;(3S)-3-methylpiperidine

C8H19N — CID 144634573

IUPACethane;(3S)-3-methylpiperidine
SMILESCC.C[C@H]1CCCNC1
InChIInChI=1S/C6H13N.C2H6/c1-6-3-2-4-7-5-6;1-2/h6-7H,2-5H2,1H3;1-2H3/t6-;/m0./s1
InChIKeyWSNHRJGCRNDYNT-RGMNGODLSA-N
MW129.25 g/mol
LogP2.03
Rot. Bonds

About ethane;(3S)-3-methylpiperidine

ethane;(3S)-3-methylpiperidine (PubChem CID 144634573) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is ethane;(3S)-3-methylpiperidine.

Molecular Properties

Compound Nameethane;(3S)-3-methylpiperidine
PubChem CID144634573
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Nameethane;(3S)-3-methylpiperidine
SMILESCC.C[C@H]1CCCNC1
InChIInChI=1S/C6H13N.C2H6/c1-6-3-2-4-7-5-6;1-2/h6-7H,2-5H2,1H3;1-2H3/t6-;/m0./s1
InChIKeyWSNHRJGCRNDYNT-RGMNGODLSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-methylpiperidine;hydrate
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methanamine;3-methylpiperidine
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3-methylazepane
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(3S)-3-methylpiperidine;oxan-4-amine
CID 142432320
2-cyanoguanidine;3-methylpiperidine
CID 130442393
methanethiol;3-methylpyrrolidine;dihydrate
CID 169181440
3-methylpyrrolidine;phosphinous acid
CID 142914115
N-ethylethanamine;methanesulfonamide;3-methylpiperidine
CID 70200253
3-methyl-4-tritiopiperidine
CID 59952974
1-fluoro-2,4-dimethylbenzene;3-methylpiperidine
CID 146172473
(3R)-3-(azetidin-3-yl)piperidine
CID 172571282

Frequently Asked Questions

What is the IUPAC name of ethane;(3S)-3-methylpiperidine?
The IUPAC name of ethane;(3S)-3-methylpiperidine (CID 144634573) is ethane;(3S)-3-methylpiperidine.
What is the SMILES notation for ethane;(3S)-3-methylpiperidine?
The canonical SMILES for ethane;(3S)-3-methylpiperidine is CC.C[C@H]1CCCNC1.
What is the InChIKey of ethane;(3S)-3-methylpiperidine?
The InChIKey is WSNHRJGCRNDYNT-RGMNGODLSA-N. The full InChI is InChI=1S/C6H13N.C2H6/c1-6-3-2-4-7-5-6;1-2/h6-7H,2-5H2,1H3;1-2H3/t6-;/m0./s1.
What are the key properties of ethane;(3S)-3-methylpiperidine?
ethane;(3S)-3-methylpiperidine has a molecular weight of 129.25 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3S)-3-methylpiperidine is sourced from PubChem (CID 144634573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).