1-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]pyrrolidine

C15H25N — CID 19608995

IUPAC1-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]pyrrolidine
SMILESCC1=C(C)C(C)C(C(C)N2CCCC2)=C1C
InChIInChI=1S/C15H25N/c1-10-11(2)13(4)15(12(10)3)14(5)16-8-6-7-9-16/h12,14H,6-9H2,1-5H3
InChIKeyWTRXZMLGIXBSNK-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.77
Rot. Bonds2

About 1-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]pyrrolidine

1-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]pyrrolidine (PubChem CID 19608995) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 1-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]pyrrolidine
PubChem CID19608995
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name1-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]pyrrolidine
SMILESCC1=C(C)C(C)C(C(C)N2CCCC2)=C1C
InChIInChI=1S/C15H25N/c1-10-11(2)13(4)15(12(10)3)14(5)16-8-6-7-9-16/h12,14H,6-9H2,1-5H3
InChIKeyWTRXZMLGIXBSNK-UHFFFAOYSA-N
XLogP3.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(6-Fluorocyclohexa-1,5-dien-1-yl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene
CID 172346186
(4E)-4-(1-fluoroethylidene)-1,2-di(propan-2-yl)pyrrolidine
CID 175612304
5-(6-Fluorocyclohexa-1,5-dien-1-yl)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-ene
CID 177350599
1,3-Cyclopentadiene, 1,2,3,4-tetramethyl-5-[2-(pyrrolidine-1-yl)ethyl]-
CID 558441
(4S)-5-(5-fluorocyclohexa-1,5-dien-1-yl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene
CID 172345934
N,N-dimethyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethanamine
CID 11008786
N,N-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)propan-1-amine
CID 19608987
1-(2-methyl-3a,7a-dihydro-1H-inden-1-yl)pyrrolidine
CID 20675116
N-decyl-N-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]decan-1-amine
CID 22443858
N,N-dimethyl-1-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)ethanamine
CID 23297485
N,N-dimethyl-3-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)propan-1-amine
CID 54063719
1,2,3,5,6-pentamethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 59886905

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]pyrrolidine?
The IUPAC name of 1-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]pyrrolidine (CID 19608995) is 1-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]pyrrolidine.
What is the SMILES notation for 1-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]pyrrolidine?
The canonical SMILES for 1-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]pyrrolidine is CC1=C(C)C(C)C(C(C)N2CCCC2)=C1C.
What is the InChIKey of 1-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]pyrrolidine?
The InChIKey is WTRXZMLGIXBSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-10-11(2)13(4)15(12(10)3)14(5)16-8-6-7-9-16/h12,14H,6-9H2,1-5H3.
What are the key properties of 1-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]pyrrolidine?
1-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]pyrrolidine has a molecular weight of 219.37 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]pyrrolidine is sourced from PubChem (CID 19608995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).