1-cyclohexa-1,5-dien-1-yl-3-pyrrolidin-1-ylpyrrolidine

C14H22N2 — CID 141053442

IUPAC1-cyclohexa-1,5-dien-1-yl-3-pyrrolidin-1-ylpyrrolidine
SMILESC1=CC(N2CCC(N3CCCC3)C2)=CCC1
InChIInChI=1S/C14H22N2/c1-2-6-13(7-3-1)16-11-8-14(12-16)15-9-4-5-10-15/h2,6-7,14H,1,3-5,8-12H2
InChIKeyLZTHQYCETIZNMB-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.39
Rot. Bonds2

About 1-cyclohexa-1,5-dien-1-yl-3-pyrrolidin-1-ylpyrrolidine

1-cyclohexa-1,5-dien-1-yl-3-pyrrolidin-1-ylpyrrolidine (PubChem CID 141053442) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-3-pyrrolidin-1-ylpyrrolidine.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-3-pyrrolidin-1-ylpyrrolidine
PubChem CID141053442
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-cyclohexa-1,5-dien-1-yl-3-pyrrolidin-1-ylpyrrolidine
SMILESC1=CC(N2CCC(N3CCCC3)C2)=CCC1
InChIInChI=1S/C14H22N2/c1-2-6-13(7-3-1)16-11-8-14(12-16)15-9-4-5-10-15/h2,6-7,14H,1,3-5,8-12H2
InChIKeyLZTHQYCETIZNMB-UHFFFAOYSA-N
XLogP2.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Pyrrolidin-1-ylcyclopent-2-en-1-yl)pyrrolidine
CID 14315936
1-(2-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylpyrrolidin-3-amine
CID 141126804
1-(6-Pyrrolidin-1-yl-1-cyclohexenyl)-pyrrolidine
CID 14315943
1-[(1S)-2-pyrrolidin-1-ylcyclopent-2-en-1-yl]pyrrolidine
CID 135086292
7-Pyrrolidin-1-yl-1,2,3,5,6,8a-hexahydroindolizine
CID 101989170
1-(4-Pyrrolidin-1-ylcyclohexa-1,3-dien-1-yl)pyrrolidine
CID 13003750
(3S)-1-cyclohexa-1,5-dien-1-yl-N,N-dimethylpyrrolidin-3-amine
CID 141079612
(3R)-1-cyclohexa-1,5-dien-1-yl-N,N-dimethylpyrrolidin-3-amine
CID 141086222
(2S)-1-cyclohexa-1,5-dien-1-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 141126802
3-methyl-2-[(1Z)-4-methyl-3-methylidenepenta-1,4-dienyl]-4-prop-1-en-2-yl-1,4-diazabicyclo[3.2.1]oct-2-ene
CID 155001966
8-Cyclohexa-1,5-dien-1-yl-8-aza-5-azoniaspiro[4.5]decane
CID 155200334
(3Z)-N-methyl-N-(3-pyrrolidin-1-ylbutyl)-4-(2-pyrrolidin-1-ylethyl)hexa-1,3,5-trien-2-amine
CID 161166306

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-3-pyrrolidin-1-ylpyrrolidine?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-3-pyrrolidin-1-ylpyrrolidine (CID 141053442) is 1-cyclohexa-1,5-dien-1-yl-3-pyrrolidin-1-ylpyrrolidine.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-3-pyrrolidin-1-ylpyrrolidine?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-3-pyrrolidin-1-ylpyrrolidine is C1=CC(N2CCC(N3CCCC3)C2)=CCC1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-3-pyrrolidin-1-ylpyrrolidine?
The InChIKey is LZTHQYCETIZNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-2-6-13(7-3-1)16-11-8-14(12-16)15-9-4-5-10-15/h2,6-7,14H,1,3-5,8-12H2.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-3-pyrrolidin-1-ylpyrrolidine?
1-cyclohexa-1,5-dien-1-yl-3-pyrrolidin-1-ylpyrrolidine has a molecular weight of 218.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-3-pyrrolidin-1-ylpyrrolidine is sourced from PubChem (CID 141053442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).