ethane;6-methyl-2,3,4,5-tetrahydropyridine

C8H17N — CID 91488935

IUPACethane;6-methyl-2,3,4,5-tetrahydropyridine
SMILESCC.CC1=NCCCC1
InChIInChI=1S/C6H11N.C2H6/c1-6-4-2-3-5-7-6;1-2/h2-5H2,1H3;1-2H3
InChIKeyIYAWAQSOKFRIPP-UHFFFAOYSA-N
MW127.23 g/mol
LogP2.66
Rot. Bonds

About ethane;6-methyl-2,3,4,5-tetrahydropyridine

ethane;6-methyl-2,3,4,5-tetrahydropyridine (PubChem CID 91488935) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is ethane;6-methyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Nameethane;6-methyl-2,3,4,5-tetrahydropyridine
PubChem CID91488935
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Nameethane;6-methyl-2,3,4,5-tetrahydropyridine
SMILESCC.CC1=NCCCC1
InChIInChI=1S/C6H11N.C2H6/c1-6-4-2-3-5-7-6;1-2/h2-5H2,1H3;1-2H3
InChIKeyIYAWAQSOKFRIPP-UHFFFAOYSA-N
XLogP2.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,10,12-tetramethyl-1,5,9,13-tetrazacyclohexadeca-1,4,9,12-tetraene
CID 11304215
6-(2,3,4,5-tetrahydropyridin-6-yl)-2,3,4,5-tetrahydropyridine
CID 19101375
5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,7,11,14-tetraene
CID 15304008
2,3,4,5-tetrahydropyridin-6-amine;dihydrochloride
CID 162367804
2-iodo-1-azacyclotridecene
CID 134919966
6-tert-butylsulfanyl-2,3,4,5-tetrahydropyridine
CID 134920059
1,1-dimethyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine
CID 2323749
N',N'-diethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine
CID 79508860
ethane;2-methyl-5,6-dihydro-4H-1,3-oxazine
CID 91154236
N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)acetamide
CID 2313026
4,12-dimethyl-1,5,9,13-tetrazacyclohexadeca-4,12-diene-2,10-dione
CID 102409774
N,N'-bis(2,3,4,5-tetrahydropyridin-6-yl)ethyne-1,2-diamine
CID 90936477

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of ethane;6-methyl-2,3,4,5-tetrahydropyridine (CID 91488935) is ethane;6-methyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for ethane;6-methyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for ethane;6-methyl-2,3,4,5-tetrahydropyridine is CC.CC1=NCCCC1.
What is the InChIKey of ethane;6-methyl-2,3,4,5-tetrahydropyridine?
The InChIKey is IYAWAQSOKFRIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C2H6/c1-6-4-2-3-5-7-6;1-2/h2-5H2,1H3;1-2H3.
What are the key properties of ethane;6-methyl-2,3,4,5-tetrahydropyridine?
ethane;6-methyl-2,3,4,5-tetrahydropyridine has a molecular weight of 127.23 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 91488935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).