(4S,5S)-1,2,3,4,5,6-hexamethyl-2,3,4,5-tetrahydropyridin-1-ium

C11H22N+ — CID 58299405

IUPAC(4S,5S)-1,2,3,4,5,6-hexamethyl-2,3,4,5-tetrahydropyridin-1-ium
SMILESCC1=[N+](C)C(C)C(C)[C@H](C)[C@@H]1C
InChIInChI=1S/C11H22N/c1-7-8(2)10(4)12(6)11(5)9(7)3/h7-10H,1-6H3/q+1/t7-,8?,9-,10?/m0/s1
InChIKeyMPBVOGWJMHZXII-FMLYDFSMSA-N
MW168.30 g/mol
LogP2.40
Rot. Bonds

About (4S,5S)-1,2,3,4,5,6-hexamethyl-2,3,4,5-tetrahydropyridin-1-ium

(4S,5S)-1,2,3,4,5,6-hexamethyl-2,3,4,5-tetrahydropyridin-1-ium (PubChem CID 58299405) has the molecular formula C11H22N+ and a molecular weight of 168.30 g/mol. Its IUPAC name is (4S,5S)-1,2,3,4,5,6-hexamethyl-2,3,4,5-tetrahydropyridin-1-ium.

Molecular Properties

Compound Name(4S,5S)-1,2,3,4,5,6-hexamethyl-2,3,4,5-tetrahydropyridin-1-ium
PubChem CID58299405
Molecular FormulaC11H22N+
Molecular Weight168.30 g/mol
Exact Mass168.17
IUPAC Name(4S,5S)-1,2,3,4,5,6-hexamethyl-2,3,4,5-tetrahydropyridin-1-ium
SMILESCC1=[N+](C)C(C)C(C)[C@H](C)[C@@H]1C
InChIInChI=1S/C11H22N/c1-7-8(2)10(4)12(6)11(5)9(7)3/h7-10H,1-6H3/q+1/t7-,8?,9-,10?/m0/s1
InChIKeyMPBVOGWJMHZXII-FMLYDFSMSA-N
XLogP2.40
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-1,2,3,4,5,6-hexamethyl-2,3,4,5-tetrahydropyridin-1-ium?
The IUPAC name of (4S,5S)-1,2,3,4,5,6-hexamethyl-2,3,4,5-tetrahydropyridin-1-ium (CID 58299405) is (4S,5S)-1,2,3,4,5,6-hexamethyl-2,3,4,5-tetrahydropyridin-1-ium.
What is the SMILES notation for (4S,5S)-1,2,3,4,5,6-hexamethyl-2,3,4,5-tetrahydropyridin-1-ium?
The canonical SMILES for (4S,5S)-1,2,3,4,5,6-hexamethyl-2,3,4,5-tetrahydropyridin-1-ium is CC1=[N+](C)C(C)C(C)[C@H](C)[C@@H]1C.
What is the InChIKey of (4S,5S)-1,2,3,4,5,6-hexamethyl-2,3,4,5-tetrahydropyridin-1-ium?
The InChIKey is MPBVOGWJMHZXII-FMLYDFSMSA-N. The full InChI is InChI=1S/C11H22N/c1-7-8(2)10(4)12(6)11(5)9(7)3/h7-10H,1-6H3/q+1/t7-,8?,9-,10?/m0/s1.
What are the key properties of (4S,5S)-1,2,3,4,5,6-hexamethyl-2,3,4,5-tetrahydropyridin-1-ium?
(4S,5S)-1,2,3,4,5,6-hexamethyl-2,3,4,5-tetrahydropyridin-1-ium has a molecular weight of 168.30 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-1,2,3,4,5,6-hexamethyl-2,3,4,5-tetrahydropyridin-1-ium is sourced from PubChem (CID 58299405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).