4-methyl-8-pyrrolidin-1-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraene

C18H22N2 — CID 51360565

IUPAC4-methyl-8-pyrrolidin-1-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraene
SMILESCn1ccc2c(N3CCCC3)cc3c(c21)C1CCC3C1
InChIInChI=1S/C18H22N2/c1-19-9-6-14-16(20-7-2-3-8-20)11-15-12-4-5-13(10-12)17(15)18(14)19/h6,9,11-13H,2-5,7-8,10H2,1H3
InChIKeyKCMVWDIZXBBHTE-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.14
Rot. Bonds1

About 4-methyl-8-pyrrolidin-1-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraene

4-methyl-8-pyrrolidin-1-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraene (PubChem CID 51360565) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-methyl-8-pyrrolidin-1-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraene.

Molecular Properties

Compound Name4-methyl-8-pyrrolidin-1-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraene
PubChem CID51360565
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name4-methyl-8-pyrrolidin-1-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraene
SMILESCn1ccc2c(N3CCCC3)cc3c(c21)C1CCC3C1
InChIInChI=1S/C18H22N2/c1-19-9-6-14-16(20-7-2-3-8-20)11-15-12-4-5-13(10-12)17(15)18(14)19/h6,9,11-13H,2-5,7-8,10H2,1H3
InChIKeyKCMVWDIZXBBHTE-UHFFFAOYSA-N
XLogP4.14
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3r,4s)-1-[(1s)-7-Fluoro-2,3-Dihydro-1h-Inden-1-Yl]-N,N-Dimethyl-4-(1-Methyl-1h-Indol-3-Yl)pyrrolidin-3-Amine
CID 123132216
Ergoline, 8,9-didehydro-6,8-dimethyl-1-propyl-
CID 163581
(4-Fluoro-3-methyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl)-dipropyl-amine
CID 10425027
Ellipticine, 6-methyl
CID 97109
N-ethyl-N-((1-octyl-5-m-tolyl-1H-indol-3-yl)methyl)ethanamine
CID 46913832
N-ethyl-N-((1-octyl-5-o-tolyl-1H-indol-3-yl)methyl)ethanamine
CID 49780330
N-ethyl-N-((1-octyl-5-p-tolyl-1H-indol-3-yl)methyl)ethanamine
CID 49780331
N-((1-octyl-5-m-tolyl-1H-indol-3-yl)methyl)-N-propylpropan-1-amine
CID 49783392
N-methyl-N-((1-octyl-5-m-tolyl-1H-indol-3-yl)methyl)propan-2-amine
CID 49783393
1-octyl-3-(pyrrolidin-1-ylmethyl)-5-m-tolyl-1H-indole
CID 49783394
(3R,4S)-1-[(1R)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine
CID 132085564
(3R,4S)-1-(7-fluoro-2,3-dihydro-1H-inden-1-yl)-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine
CID 132085664

Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-pyrrolidin-1-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraene?
The IUPAC name of 4-methyl-8-pyrrolidin-1-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraene (CID 51360565) is 4-methyl-8-pyrrolidin-1-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraene.
What is the SMILES notation for 4-methyl-8-pyrrolidin-1-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraene?
The canonical SMILES for 4-methyl-8-pyrrolidin-1-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraene is Cn1ccc2c(N3CCCC3)cc3c(c21)C1CCC3C1.
What is the InChIKey of 4-methyl-8-pyrrolidin-1-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraene?
The InChIKey is KCMVWDIZXBBHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-19-9-6-14-16(20-7-2-3-8-20)11-15-12-4-5-13(10-12)17(15)18(14)19/h6,9,11-13H,2-5,7-8,10H2,1H3.
What are the key properties of 4-methyl-8-pyrrolidin-1-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraene?
4-methyl-8-pyrrolidin-1-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraene has a molecular weight of 266.39 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-pyrrolidin-1-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2,5,7,9-tetraene is sourced from PubChem (CID 51360565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).