6-but-1-en-2-yl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium

C18H30N+ — CID 123681175

IUPAC6-but-1-en-2-yl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium
SMILESC=C(CC)C1=[N+](C)C(C)(C)C(C)(C)C(C)=C1C=CC
InChIInChI=1S/C18H30N/c1-10-12-15-14(4)17(5,6)18(7,8)19(9)16(15)13(3)11-2/h10,12H,3,11H2,1-2,4-9H3/q+1
InChIKeyNTICIKGKSKEKCK-UHFFFAOYSA-N
MW260.44 g/mol
LogP4.75
Rot. Bonds3

About 6-but-1-en-2-yl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium

6-but-1-en-2-yl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium (PubChem CID 123681175) has the molecular formula C18H30N+ and a molecular weight of 260.44 g/mol. Its IUPAC name is 6-but-1-en-2-yl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium.

Molecular Properties

Compound Name6-but-1-en-2-yl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium
PubChem CID123681175
Molecular FormulaC18H30N+
Molecular Weight260.44 g/mol
Exact Mass260.24
IUPAC Name6-but-1-en-2-yl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium
SMILESC=C(CC)C1=[N+](C)C(C)(C)C(C)(C)C(C)=C1C=CC
InChIInChI=1S/C18H30N/c1-10-12-15-14(4)17(5,6)18(7,8)19(9)16(15)13(3)11-2/h10,12H,3,11H2,1-2,4-9H3/q+1
InChIKeyNTICIKGKSKEKCK-UHFFFAOYSA-N
XLogP4.75
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.44
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-but-1-en-2-yl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium with MolForge

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Related Compounds

2,3-Diethyl-2,3,9,9,12-pentamethyl-7-methylidene-1-azoniatricyclo[6.3.2.04,13]trideca-1(12),4(13),5,10-tetraene
CID 123158765
4-Ethenyl-2-[(6-ethenyl-4-ethylidene-5-prop-2-enylidene-2-pyridinyl)methyl]-1,2,3,3-tetramethyl-5-prop-1-enyl-6-prop-1-en-2-ylpyridin-1-ium
CID 123169263
5-Tert-butylhepta-3,5-dien-2-ylidene-(4-ethyl-3-methyl-5-methylidenehept-6-en-3-yl)-methylazanium
CID 123448283
4-ethenyl-6-ethyl-1-ethylidene-5,5-dimethyl-6-prop-1-en-2-yl-2H-pyridin-1-ium
CID 123655964
6-Ethenyl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium
CID 123781108
6-Ethenyl-2,2,3,3,4-pentamethyl-5-prop-1-enylpyridine
CID 123865418
6-But-1-en-2-yl-2,2,3,3,4-pentamethyl-5-prop-1-enylpyridine
CID 123965894
(1Z)-1-(3-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N,3,4,4-tetramethylpentan-2-imine
CID 138507213
(5Z)-2-cyclohepta-1,3,6-trien-1-yl-N,2,7-trimethyl-4-methylideneocta-5,7-dien-3-imine;ethane
CID 141810876
N-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]propan-2-imine
CID 155330624
(E)-6-(1-ethylcyclohex-3-en-1-yl)-N,5-dimethyl-4-prop-1-en-2-ylhex-4-en-3-imine
CID 156224394
N-(1,4-diethyl-4-methylcyclobut-2-en-1-yl)-6-methylidenecyclohexa-2,4-dien-1-imine
CID 156569387

Frequently Asked Questions

What is the IUPAC name of 6-but-1-en-2-yl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium?
The IUPAC name of 6-but-1-en-2-yl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium (CID 123681175) is 6-but-1-en-2-yl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium.
What is the SMILES notation for 6-but-1-en-2-yl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium?
The canonical SMILES for 6-but-1-en-2-yl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium is C=C(CC)C1=[N+](C)C(C)(C)C(C)(C)C(C)=C1C=CC.
What is the InChIKey of 6-but-1-en-2-yl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium?
The InChIKey is NTICIKGKSKEKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N/c1-10-12-15-14(4)17(5,6)18(7,8)19(9)16(15)13(3)11-2/h10,12H,3,11H2,1-2,4-9H3/q+1.
What are the key properties of 6-but-1-en-2-yl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium?
6-but-1-en-2-yl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium has a molecular weight of 260.44 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-1-en-2-yl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium is sourced from PubChem (CID 123681175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).