1-(2-butyl-1-ethylcyclopropyl)-5-ethenyl-3-methyl-4-methylidene-2-prop-1-en-2-ylpyridine

C21H31N — CID 134377284

IUPAC1-(2-butyl-1-ethylcyclopropyl)-5-ethenyl-3-methyl-4-methylidene-2-prop-1-en-2-ylpyridine
SMILESC=CC1=CN(C2(CC)CC2CCCC)C(C(=C)C)=C(C)C1=C
InChIInChI=1S/C21H31N/c1-8-11-12-19-13-21(19,10-3)22-14-18(9-2)16(6)17(7)20(22)15(4)5/h9,14,19H,2,4,6,8,10-13H2,1,3,5,7H3
InChIKeyRWQGKLNEDOSXBB-UHFFFAOYSA-N
MW297.49 g/mol
LogP6.14
Rot. Bonds7

About 1-(2-butyl-1-ethylcyclopropyl)-5-ethenyl-3-methyl-4-methylidene-2-prop-1-en-2-ylpyridine

1-(2-butyl-1-ethylcyclopropyl)-5-ethenyl-3-methyl-4-methylidene-2-prop-1-en-2-ylpyridine (PubChem CID 134377284) has the molecular formula C21H31N and a molecular weight of 297.49 g/mol. Its IUPAC name is 1-(2-butyl-1-ethylcyclopropyl)-5-ethenyl-3-methyl-4-methylidene-2-prop-1-en-2-ylpyridine.

Molecular Properties

Compound Name1-(2-butyl-1-ethylcyclopropyl)-5-ethenyl-3-methyl-4-methylidene-2-prop-1-en-2-ylpyridine
PubChem CID134377284
Molecular FormulaC21H31N
Molecular Weight297.49 g/mol
Exact Mass297.25
IUPAC Name1-(2-butyl-1-ethylcyclopropyl)-5-ethenyl-3-methyl-4-methylidene-2-prop-1-en-2-ylpyridine
SMILESC=CC1=CN(C2(CC)CC2CCCC)C(C(=C)C)=C(C)C1=C
InChIInChI=1S/C21H31N/c1-8-11-12-19-13-21(19,10-3)22-14-18(9-2)16(6)17(7)20(22)15(4)5/h9,14,19H,2,4,6,8,10-13H2,1,3,5,7H3
InChIKeyRWQGKLNEDOSXBB-UHFFFAOYSA-N
XLogP6.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.49
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Fluoro-1,5-dimethyl-2-[3-[[2-(2-methylbutyl)cyclopropyl]methyl]pent-1-en-2-yl]-4-methylidenepyridine
CID 134377565
3-[[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-1-methyl-2H-pyridine
CID 54493781
2,6-Dimethyl-2,3,5-tripentyl-1-prop-2-enyl-3,4-dihydropyridine
CID 67749560
(Z)-N-(1-cyclopropylethenyl)-N-ethenyl-3-(4-methylcyclohex-3-en-1-yl)but-2-en-1-amine
CID 68302021
N-[(2-cyclohex-3-en-1-ylcyclopropyl)methyl]-N,3,3-trimethylbut-1-en-2-amine
CID 68302053
N-tert-butyl-1-cyclopropyl-N-[[2-(2,4-dimethylcyclohex-3-en-1-yl)cyclopropyl]methyl]-2-methylprop-1-en-1-amine
CID 68302059
N-[(2-cyclohex-3-en-1-ylcyclopropyl)methyl]-3,3-dimethyl-N-prop-2-enylbut-1-en-2-amine
CID 68302108
N-[[2-methyl-2-(4-methylcyclohex-3-en-1-yl)cyclopropyl]methyl]-N-prop-2-enylprop-1-en-2-amine
CID 68302117
N-[(2-cyclohex-3-en-1-ylcyclopropyl)methyl]-2-methyl-N-prop-1-en-2-ylpropan-1-amine
CID 68302153
(Z)-N-(1-cyclopropylethenyl)-3-(2,4-dimethylcyclohex-3-en-1-yl)-N-methylprop-2-en-1-amine
CID 68302183
N-[[2-(2,4-dimethylcyclohex-3-en-1-yl)cyclopropyl]methyl]-2-methyl-N-prop-1-en-2-ylpropan-2-amine
CID 68302224
N-[(2-cyclohex-3-en-1-ylcyclopropyl)methyl]-N-propan-2-ylbut-1-en-2-amine
CID 68302273

Frequently Asked Questions

What is the IUPAC name of 1-(2-butyl-1-ethylcyclopropyl)-5-ethenyl-3-methyl-4-methylidene-2-prop-1-en-2-ylpyridine?
The IUPAC name of 1-(2-butyl-1-ethylcyclopropyl)-5-ethenyl-3-methyl-4-methylidene-2-prop-1-en-2-ylpyridine (CID 134377284) is 1-(2-butyl-1-ethylcyclopropyl)-5-ethenyl-3-methyl-4-methylidene-2-prop-1-en-2-ylpyridine.
What is the SMILES notation for 1-(2-butyl-1-ethylcyclopropyl)-5-ethenyl-3-methyl-4-methylidene-2-prop-1-en-2-ylpyridine?
The canonical SMILES for 1-(2-butyl-1-ethylcyclopropyl)-5-ethenyl-3-methyl-4-methylidene-2-prop-1-en-2-ylpyridine is C=CC1=CN(C2(CC)CC2CCCC)C(C(=C)C)=C(C)C1=C.
What is the InChIKey of 1-(2-butyl-1-ethylcyclopropyl)-5-ethenyl-3-methyl-4-methylidene-2-prop-1-en-2-ylpyridine?
The InChIKey is RWQGKLNEDOSXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N/c1-8-11-12-19-13-21(19,10-3)22-14-18(9-2)16(6)17(7)20(22)15(4)5/h9,14,19H,2,4,6,8,10-13H2,1,3,5,7H3.
What are the key properties of 1-(2-butyl-1-ethylcyclopropyl)-5-ethenyl-3-methyl-4-methylidene-2-prop-1-en-2-ylpyridine?
1-(2-butyl-1-ethylcyclopropyl)-5-ethenyl-3-methyl-4-methylidene-2-prop-1-en-2-ylpyridine has a molecular weight of 297.49 g/mol, XLogP of 6.14, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butyl-1-ethylcyclopropyl)-5-ethenyl-3-methyl-4-methylidene-2-prop-1-en-2-ylpyridine is sourced from PubChem (CID 134377284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).