1-but-1-en-2-yl-2-(3-methylbutyl)-4-(2-methylpropyl)pyrrolidine

C17H33N — CID 166897478

IUPAC1-but-1-en-2-yl-2-(3-methylbutyl)-4-(2-methylpropyl)pyrrolidine
SMILESC=C(CC)N1CC(CC(C)C)CC1CCC(C)C
InChIInChI=1S/C17H33N/c1-7-15(6)18-12-16(10-14(4)5)11-17(18)9-8-13(2)3/h13-14,16-17H,6-12H2,1-5H3
InChIKeyJIVKPSDOTCTWMW-UHFFFAOYSA-N
MW251.46 g/mol
LogP5.08
Rot. Bonds7

About 1-but-1-en-2-yl-2-(3-methylbutyl)-4-(2-methylpropyl)pyrrolidine

1-but-1-en-2-yl-2-(3-methylbutyl)-4-(2-methylpropyl)pyrrolidine (PubChem CID 166897478) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 1-but-1-en-2-yl-2-(3-methylbutyl)-4-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name1-but-1-en-2-yl-2-(3-methylbutyl)-4-(2-methylpropyl)pyrrolidine
PubChem CID166897478
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name1-but-1-en-2-yl-2-(3-methylbutyl)-4-(2-methylpropyl)pyrrolidine
SMILESC=C(CC)N1CC(CC(C)C)CC1CCC(C)C
InChIInChI=1S/C17H33N/c1-7-15(6)18-12-16(10-14(4)5)11-17(18)9-8-13(2)3/h13-14,16-17H,6-12H2,1-5H3
InChIKeyJIVKPSDOTCTWMW-UHFFFAOYSA-N
XLogP5.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Hex-1-enyl-2-non-8-en-2-ylpyrrolidine
CID 53932069
2-ethyl-N,8-dimethyl-5-methylidene-4-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]non-8-en-1-amine
CID 68090608
(3R)-N,N-dimethyl-3-(2-methylpropyl)dec-1-en-2-amine
CID 89311785
1-(8-Methylnon-8-en-4-yl)-3-propan-2-ylpyrrolidine
CID 91209268
1-(4-Tert-butyl-4-propan-2-ylcyclohexyl)-2-methylidenepyrrolidine
CID 122679843
5-Ethyl-1-(5-methylhexa-2,4-dien-2-yl)-2-methylidene-3-(2-methylprop-2-enyl)pyrrolidine
CID 123700663
1,4-Dibutyl-3-methyl-2-octyl-2,3-dihydropyrrole
CID 123947569
N,5-dimethyl-N-pentan-3-yldec-1-en-2-amine
CID 124026019
N,7-dimethyl-4-methylidene-N-(4-methylpent-1-en-2-yl)-5-propan-2-yloct-7-en-1-amine
CID 126625125
N-methyl-N-(3-methylbut-1-en-2-yl)-4-(3-methyl-2-methylidenebutyl)cyclohexan-1-amine
CID 129152423
1-Heptadeca-1,2-dien-3-yl-3-propylpyrrolidine
CID 129293802
4-Ethyl-2-methyl-1-prop-1-en-2-ylpyrrolidine
CID 130293622

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-2-(3-methylbutyl)-4-(2-methylpropyl)pyrrolidine?
The IUPAC name of 1-but-1-en-2-yl-2-(3-methylbutyl)-4-(2-methylpropyl)pyrrolidine (CID 166897478) is 1-but-1-en-2-yl-2-(3-methylbutyl)-4-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 1-but-1-en-2-yl-2-(3-methylbutyl)-4-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 1-but-1-en-2-yl-2-(3-methylbutyl)-4-(2-methylpropyl)pyrrolidine is C=C(CC)N1CC(CC(C)C)CC1CCC(C)C.
What is the InChIKey of 1-but-1-en-2-yl-2-(3-methylbutyl)-4-(2-methylpropyl)pyrrolidine?
The InChIKey is JIVKPSDOTCTWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-7-15(6)18-12-16(10-14(4)5)11-17(18)9-8-13(2)3/h13-14,16-17H,6-12H2,1-5H3.
What are the key properties of 1-but-1-en-2-yl-2-(3-methylbutyl)-4-(2-methylpropyl)pyrrolidine?
1-but-1-en-2-yl-2-(3-methylbutyl)-4-(2-methylpropyl)pyrrolidine has a molecular weight of 251.46 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-2-(3-methylbutyl)-4-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 166897478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).