ethane;1,3,4-trimethylpiperidine

C12H29N — CID 142222872

IUPACethane;1,3,4-trimethylpiperidine
SMILESCC.CC.CC1CCN(C)CC1C
InChIInChI=1S/C8H17N.2C2H6/c1-7-4-5-9(3)6-8(7)2;2*1-2/h7-8H,4-6H2,1-3H3;2*1-2H3
InChIKeySSVZVGOTSHYFER-UHFFFAOYSA-N
MW187.37 g/mol
LogP3.65
Rot. Bonds

About ethane;1,3,4-trimethylpiperidine

ethane;1,3,4-trimethylpiperidine (PubChem CID 142222872) has the molecular formula C12H29N and a molecular weight of 187.37 g/mol. Its IUPAC name is ethane;1,3,4-trimethylpiperidine.

Molecular Properties

Compound Nameethane;1,3,4-trimethylpiperidine
PubChem CID142222872
Molecular FormulaC12H29N
Molecular Weight187.37 g/mol
Exact Mass187.23
IUPAC Nameethane;1,3,4-trimethylpiperidine
SMILESCC.CC.CC1CCN(C)CC1C
InChIInChI=1S/C8H17N.2C2H6/c1-7-4-5-9(3)6-8(7)2;2*1-2/h7-8H,4-6H2,1-3H3;2*1-2H3
InChIKeySSVZVGOTSHYFER-UHFFFAOYSA-N
XLogP3.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,4-trimethylpiperidine
CID 14454423
(3S,4R)-1,3,4-trimethylpiperidine
CID 14454424
(4R)-1,4,5-trimethylazepane
CID 89169089
1,3,4-trimethylazepane
CID 59081993
1,4-dimethylpiperidin-3-amine;ethane
CID 169133952
(3R,4R)-1,3,4-trimethylpyrrolidine
CID 58622802
(3R)-1,3-dimethylpyrrolidine;ethane
CID 90814408
(3R,4R)-1,3-dimethylpiperidin-4-amine
CID 98186941
1,3-dimethylpiperidin-4-amine;ethane;molecular hydrogen
CID 176946053
1,3-dimethylpiperidin-4-amine;dihydrochloride
CID 53407082
1,4,5-trimethylazepane;1,4,5-trimethyl-3,6-dihydro-2H-pyridine;1,3,4-trimethyl-2,5-dihydropyrrole;1,3,4-trimethylpiperidine;1,3,4-trimethylpyrrolidine;1,4,5-trimethyl-2,3,6,7-tetrahydroazepine
CID 159190601
(3R)-1,3-dimethylpyrrolidine
CID 58412242

Frequently Asked Questions

What is the IUPAC name of ethane;1,3,4-trimethylpiperidine?
The IUPAC name of ethane;1,3,4-trimethylpiperidine (CID 142222872) is ethane;1,3,4-trimethylpiperidine.
What is the SMILES notation for ethane;1,3,4-trimethylpiperidine?
The canonical SMILES for ethane;1,3,4-trimethylpiperidine is CC.CC.CC1CCN(C)CC1C.
What is the InChIKey of ethane;1,3,4-trimethylpiperidine?
The InChIKey is SSVZVGOTSHYFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.2C2H6/c1-7-4-5-9(3)6-8(7)2;2*1-2/h7-8H,4-6H2,1-3H3;2*1-2H3.
What are the key properties of ethane;1,3,4-trimethylpiperidine?
ethane;1,3,4-trimethylpiperidine has a molecular weight of 187.37 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3,4-trimethylpiperidine is sourced from PubChem (CID 142222872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).