12-methyl-10,12-diazapentacyclo[9.7.4.01,11.03,8.013,18]docosa-3,5,7,13,15,17-hexaene

C21H24N2 — CID 135013836

IUPAC12-methyl-10,12-diazapentacyclo[9.7.4.01,11.03,8.013,18]docosa-3,5,7,13,15,17-hexaene
SMILESCN1c2ccccc2C23CCCCC12NCc1ccccc1C3
InChIInChI=1S/C21H24N2/c1-23-19-11-5-4-10-18(19)20-12-6-7-13-21(20,23)22-15-17-9-3-2-8-16(17)14-20/h2-5,8-11,22H,6-7,12-15H2,1H3
InChIKeyANSOXYXFUXQORC-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.99
Rot. Bonds

About 12-methyl-10,12-diazapentacyclo[9.7.4.01,11.03,8.013,18]docosa-3,5,7,13,15,17-hexaene

12-methyl-10,12-diazapentacyclo[9.7.4.01,11.03,8.013,18]docosa-3,5,7,13,15,17-hexaene (PubChem CID 135013836) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 12-methyl-10,12-diazapentacyclo[9.7.4.01,11.03,8.013,18]docosa-3,5,7,13,15,17-hexaene.

Molecular Properties

Compound Name12-methyl-10,12-diazapentacyclo[9.7.4.01,11.03,8.013,18]docosa-3,5,7,13,15,17-hexaene
PubChem CID135013836
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name12-methyl-10,12-diazapentacyclo[9.7.4.01,11.03,8.013,18]docosa-3,5,7,13,15,17-hexaene
SMILESCN1c2ccccc2C23CCCCC12NCc1ccccc1C3
InChIInChI=1S/C21H24N2/c1-23-19-11-5-4-10-18(19)20-12-6-7-13-21(20,23)22-15-17-9-3-2-8-16(17)14-20/h2-5,8-11,22H,6-7,12-15H2,1H3
InChIKeyANSOXYXFUXQORC-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[2,4-dihydro-1H-isoquinoline-3,1'-cycloheptane]
CID 141049949
(1R,10S)-13,15,17-trimethyl-2,17-diazapentacyclo[8.7.4.01,10.03,8.011,16]henicosa-3,5,7,11,13,15-hexaene
CID 132572721
2',2'-dimethyl-1'-(2-methylphenyl)spiro[cyclohexane-1,3'-indole]
CID 152894760
(3aS,8bS)-3,4,8b-trimethyl-1,2-dihydropyrrolo[2,3-b]indol-3a-ol
CID 54468713
1-methylspiro[4H-quinoline-2,1'-cyclohexane]-3,3-dicarbonitrile
CID 8831781
1-methylspiro[2H-indole-3,1'-cyclopentane]-2-carbonitrile
CID 10330820
(1R,13S)-13-methyl-2,6-diazatetracyclo[11.4.0.01,6.07,12]heptadeca-7,9,11-trien-3-one
CID 7069204
1-propan-2-ylspiro[4,5-dihydro-2H-1,4-benzodiazepine-3,1'-cyclohexane]
CID 79909895
1',3',3'-trimethylspiro[3,4-dihydrochromene-2,2'-indole]
CID 101163614
spiro[1,2-dihydroisoindole-3,5'-6,7,8,9-tetrahydrobenzo[7]annulene];hydrochloride
CID 45262581
3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 13000841
1-cyclohexyl-3-cyclopropyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine
CID 82923775

Frequently Asked Questions

What is the IUPAC name of 12-methyl-10,12-diazapentacyclo[9.7.4.01,11.03,8.013,18]docosa-3,5,7,13,15,17-hexaene?
The IUPAC name of 12-methyl-10,12-diazapentacyclo[9.7.4.01,11.03,8.013,18]docosa-3,5,7,13,15,17-hexaene (CID 135013836) is 12-methyl-10,12-diazapentacyclo[9.7.4.01,11.03,8.013,18]docosa-3,5,7,13,15,17-hexaene.
What is the SMILES notation for 12-methyl-10,12-diazapentacyclo[9.7.4.01,11.03,8.013,18]docosa-3,5,7,13,15,17-hexaene?
The canonical SMILES for 12-methyl-10,12-diazapentacyclo[9.7.4.01,11.03,8.013,18]docosa-3,5,7,13,15,17-hexaene is CN1c2ccccc2C23CCCCC12NCc1ccccc1C3.
What is the InChIKey of 12-methyl-10,12-diazapentacyclo[9.7.4.01,11.03,8.013,18]docosa-3,5,7,13,15,17-hexaene?
The InChIKey is ANSOXYXFUXQORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-23-19-11-5-4-10-18(19)20-12-6-7-13-21(20,23)22-15-17-9-3-2-8-16(17)14-20/h2-5,8-11,22H,6-7,12-15H2,1H3.
What are the key properties of 12-methyl-10,12-diazapentacyclo[9.7.4.01,11.03,8.013,18]docosa-3,5,7,13,15,17-hexaene?
12-methyl-10,12-diazapentacyclo[9.7.4.01,11.03,8.013,18]docosa-3,5,7,13,15,17-hexaene has a molecular weight of 304.44 g/mol, XLogP of 3.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-10,12-diazapentacyclo[9.7.4.01,11.03,8.013,18]docosa-3,5,7,13,15,17-hexaene is sourced from PubChem (CID 135013836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).