6-but-1-en-2-yl-2,2,3,3,4-pentamethyl-5-prop-1-enylpyridine

C17H27N — CID 123965894

IUPAC6-but-1-en-2-yl-2,2,3,3,4-pentamethyl-5-prop-1-enylpyridine
SMILESC=C(CC)C1=NC(C)(C)C(C)(C)C(C)=C1C=CC
InChIInChI=1S/C17H27N/c1-9-11-14-13(4)16(5,6)17(7,8)18-15(14)12(3)10-2/h9,11H,3,10H2,1-2,4-8H3
InChIKeyKHTOZYZWDLSXIE-UHFFFAOYSA-N
MW245.41 g/mol
LogP5.10
Rot. Bonds3

About 6-but-1-en-2-yl-2,2,3,3,4-pentamethyl-5-prop-1-enylpyridine

6-but-1-en-2-yl-2,2,3,3,4-pentamethyl-5-prop-1-enylpyridine (PubChem CID 123965894) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 6-but-1-en-2-yl-2,2,3,3,4-pentamethyl-5-prop-1-enylpyridine.

Molecular Properties

Compound Name6-but-1-en-2-yl-2,2,3,3,4-pentamethyl-5-prop-1-enylpyridine
PubChem CID123965894
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name6-but-1-en-2-yl-2,2,3,3,4-pentamethyl-5-prop-1-enylpyridine
SMILESC=C(CC)C1=NC(C)(C)C(C)(C)C(C)=C1C=CC
InChIInChI=1S/C17H27N/c1-9-11-14-13(4)16(5,6)17(7,8)18-15(14)12(3)10-2/h9,11H,3,10H2,1-2,4-8H3
InChIKeyKHTOZYZWDLSXIE-UHFFFAOYSA-N
XLogP5.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.41
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,3,6,10-pentamethyl-8-(2,5,5-trimethyl-4,5-dihydro-3H-pyrrol-3-ylidene)-2-azaspiro[4.5]deca-1,6,9-triene
CID 1263295
(5Z)-N-[4-[(E)-but-2-en-2-yl]-1,4-dimethylcyclobut-2-en-1-yl]-2-ethyl-2,3,3-trimethyl-4-methylideneocta-5,7-dienimidoyl fluoride
CID 134483700
1-[(E)-but-2-en-2-yl]-5-fluoro-3,3,4,4-tetramethyl-7,8-dihydroisoquinoline
CID 166905476
N-(3,7-dimethylocta-4,6-dien-4-yl)-4,6,6-trimethylcyclohex-2-en-1-imine
CID 123610926
6-But-1-en-2-yl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium
CID 123681175
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
2-[3-[(6-Iminocyclohexa-2,4-dien-1-ylidene)amino]-2,3-dimethylpentan-2-yl]cyclohexa-1,3-dien-1-amine
CID 129292313
(1Z)-1-(3-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N,3,4,4-tetramethylpentan-2-imine
CID 138507213
(6Z,8Z)-5-methyl-N-propan-2-yl-5-prop-1-enyl-4,4a-dihydrobenzo[8]annulen-10-imine
CID 138615836
2,6-ditert-butyl-2-methyl-3H-pyridine
CID 139315492
(5Z)-2-cyclohepta-1,3,6-trien-1-yl-N,2,7-trimethyl-4-methylideneocta-5,7-dien-3-imine;ethane
CID 141810876

Frequently Asked Questions

What is the IUPAC name of 6-but-1-en-2-yl-2,2,3,3,4-pentamethyl-5-prop-1-enylpyridine?
The IUPAC name of 6-but-1-en-2-yl-2,2,3,3,4-pentamethyl-5-prop-1-enylpyridine (CID 123965894) is 6-but-1-en-2-yl-2,2,3,3,4-pentamethyl-5-prop-1-enylpyridine.
What is the SMILES notation for 6-but-1-en-2-yl-2,2,3,3,4-pentamethyl-5-prop-1-enylpyridine?
The canonical SMILES for 6-but-1-en-2-yl-2,2,3,3,4-pentamethyl-5-prop-1-enylpyridine is C=C(CC)C1=NC(C)(C)C(C)(C)C(C)=C1C=CC.
What is the InChIKey of 6-but-1-en-2-yl-2,2,3,3,4-pentamethyl-5-prop-1-enylpyridine?
The InChIKey is KHTOZYZWDLSXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-9-11-14-13(4)16(5,6)17(7,8)18-15(14)12(3)10-2/h9,11H,3,10H2,1-2,4-8H3.
What are the key properties of 6-but-1-en-2-yl-2,2,3,3,4-pentamethyl-5-prop-1-enylpyridine?
6-but-1-en-2-yl-2,2,3,3,4-pentamethyl-5-prop-1-enylpyridine has a molecular weight of 245.41 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-1-en-2-yl-2,2,3,3,4-pentamethyl-5-prop-1-enylpyridine is sourced from PubChem (CID 123965894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).