2,8-dipyrrolidin-1-yl-1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene

C18H24N4 — CID 11312504

IUPAC2,8-dipyrrolidin-1-yl-1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene
SMILESc1cc2n(c1)C(N1CCCC1)c1cccn1C2N1CCCC1
InChIInChI=1S/C18H24N4/c1-2-10-19(9-1)17-15-7-5-14-22(15)18(20-11-3-4-12-20)16-8-6-13-21(16)17/h5-8,13-14,17-18H,1-4,9-12H2
InChIKeyMWDHGMQTXLHHEA-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.89
Rot. Bonds2

About 2,8-dipyrrolidin-1-yl-1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene

2,8-dipyrrolidin-1-yl-1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene (PubChem CID 11312504) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2,8-dipyrrolidin-1-yl-1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene.

Molecular Properties

Compound Name2,8-dipyrrolidin-1-yl-1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene
PubChem CID11312504
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name2,8-dipyrrolidin-1-yl-1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene
SMILESc1cc2n(c1)C(N1CCCC1)c1cccn1C2N1CCCC1
InChIInChI=1S/C18H24N4/c1-2-10-19(9-1)17-15-7-5-14-22(15)18(20-11-3-4-12-20)16-8-6-13-21(16)17/h5-8,13-14,17-18H,1-4,9-12H2
InChIKeyMWDHGMQTXLHHEA-UHFFFAOYSA-N
XLogP2.89
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolizine-2-carbonitrile
CID 13010022
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CID 130026124
5,6,7,8-tetrahydroindolizin-8-ylmethanamine;hydrochloride
CID 155897349
1-(3-phenylcyclohexyl)piperidine
CID 163210314
1-pyrrolidin-1-yl-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylic acid
CID 69194422
cyclopropyl-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 94819352
1-(2-bromophenyl)sulfanyl-3-pyrrolidin-1-ylpyrrolidine
CID 137395848
1-cyclopropyl-2-methylpyrrole
CID 22288599
1-cyclopropylpyrrol-2-ol
CID 141224357
(1R)-2-(2-methylpyrrol-1-yl)cyclohexan-1-ol
CID 146559384
1-(2,3-dihydro-1,4-benzodioxin-3-yl)piperidine
CID 54425684
1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-amine
CID 89009612

Frequently Asked Questions

What is the IUPAC name of 2,8-dipyrrolidin-1-yl-1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene?
The IUPAC name of 2,8-dipyrrolidin-1-yl-1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene (CID 11312504) is 2,8-dipyrrolidin-1-yl-1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene.
What is the SMILES notation for 2,8-dipyrrolidin-1-yl-1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene?
The canonical SMILES for 2,8-dipyrrolidin-1-yl-1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene is c1cc2n(c1)C(N1CCCC1)c1cccn1C2N1CCCC1.
What is the InChIKey of 2,8-dipyrrolidin-1-yl-1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene?
The InChIKey is MWDHGMQTXLHHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-2-10-19(9-1)17-15-7-5-14-22(15)18(20-11-3-4-12-20)16-8-6-13-21(16)17/h5-8,13-14,17-18H,1-4,9-12H2.
What are the key properties of 2,8-dipyrrolidin-1-yl-1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene?
2,8-dipyrrolidin-1-yl-1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene has a molecular weight of 296.42 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dipyrrolidin-1-yl-1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene is sourced from PubChem (CID 11312504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).