6-azapentacyclo[12.4.2.01,14.02,7.08,13]icosa-2(7),3,5,8,10,12-hexaene

C19H19N — CID 140892102

IUPAC6-azapentacyclo[12.4.2.01,14.02,7.08,13]icosa-2(7),3,5,8,10,12-hexaene
SMILESc1ccc2c(c1)-c1ncccc1C13CCCCC21CC3
InChIInChI=1S/C19H19N/c1-2-7-15-14(6-1)17-16(8-5-13-20-17)19-10-4-3-9-18(15,19)11-12-19/h1-2,5-8,13H,3-4,9-12H2
InChIKeyYIPLFSRMDGTTPF-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.61
Rot. Bonds

About 6-azapentacyclo[12.4.2.01,14.02,7.08,13]icosa-2(7),3,5,8,10,12-hexaene

6-azapentacyclo[12.4.2.01,14.02,7.08,13]icosa-2(7),3,5,8,10,12-hexaene (PubChem CID 140892102) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 6-azapentacyclo[12.4.2.01,14.02,7.08,13]icosa-2(7),3,5,8,10,12-hexaene.

Molecular Properties

Compound Name6-azapentacyclo[12.4.2.01,14.02,7.08,13]icosa-2(7),3,5,8,10,12-hexaene
PubChem CID140892102
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name6-azapentacyclo[12.4.2.01,14.02,7.08,13]icosa-2(7),3,5,8,10,12-hexaene
SMILESc1ccc2c(c1)-c1ncccc1C13CCCCC21CC3
InChIInChI=1S/C19H19N/c1-2-7-15-14(6-1)17-16(8-5-13-20-17)19-10-4-3-9-18(15,19)11-12-19/h1-2,5-8,13H,3-4,9-12H2
InChIKeyYIPLFSRMDGTTPF-UHFFFAOYSA-N
XLogP4.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-azapentacyclo[12.4.2.01,14.02,7.08,13]icosa-2(7),3,5,8,10,12-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-azahexacyclo[15.2.1.114,17.01,14.02,7.08,13]henicosa-2(7),3,5,8,10,12-hexaene-16,18-dione
CID 126542593
5,5-dichloroindeno[1,2-b]pyridine
CID 714437
spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,1'-cyclopropane]
CID 100944087
5-(2-phenylphenyl)indeno[1,2-b]pyridin-5-ol
CID 59760565
spiro[indeno[1,2-b]pyridine-5,3'-pyrrolidine]-2',5'-dione
CID 14075046
3-azatricyclo[6.4.0.02,7]dodeca-1(12),2(7),3,5,8,10-hexaene;biphenylene
CID 175097557
spiro[5H-indeno[2,1-a]indene-10,5'-indeno[1,2-b]pyridine]
CID 126652948
5,6,6-trimethyl-5H-benzo[h]quinoline
CID 170777086
benzene-1,2-diol;platinum;spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]
CID 59661482
(1S)-1-methyl-6-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaene
CID 101391435
spiro[3,4-dihydrofluorene-9,5'-indeno[1,2-b]pyridine]
CID 67968403
CID 158700467
CID 158700467

Frequently Asked Questions

What is the IUPAC name of 6-azapentacyclo[12.4.2.01,14.02,7.08,13]icosa-2(7),3,5,8,10,12-hexaene?
The IUPAC name of 6-azapentacyclo[12.4.2.01,14.02,7.08,13]icosa-2(7),3,5,8,10,12-hexaene (CID 140892102) is 6-azapentacyclo[12.4.2.01,14.02,7.08,13]icosa-2(7),3,5,8,10,12-hexaene.
What is the SMILES notation for 6-azapentacyclo[12.4.2.01,14.02,7.08,13]icosa-2(7),3,5,8,10,12-hexaene?
The canonical SMILES for 6-azapentacyclo[12.4.2.01,14.02,7.08,13]icosa-2(7),3,5,8,10,12-hexaene is c1ccc2c(c1)-c1ncccc1C13CCCCC21CC3.
What is the InChIKey of 6-azapentacyclo[12.4.2.01,14.02,7.08,13]icosa-2(7),3,5,8,10,12-hexaene?
The InChIKey is YIPLFSRMDGTTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c1-2-7-15-14(6-1)17-16(8-5-13-20-17)19-10-4-3-9-18(15,19)11-12-19/h1-2,5-8,13H,3-4,9-12H2.
What are the key properties of 6-azapentacyclo[12.4.2.01,14.02,7.08,13]icosa-2(7),3,5,8,10,12-hexaene?
6-azapentacyclo[12.4.2.01,14.02,7.08,13]icosa-2(7),3,5,8,10,12-hexaene has a molecular weight of 261.37 g/mol, XLogP of 4.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azapentacyclo[12.4.2.01,14.02,7.08,13]icosa-2(7),3,5,8,10,12-hexaene is sourced from PubChem (CID 140892102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).