7-methylspiro[2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene-9,1'-cyclopentane]

C19H22N2 — CID 46221645

IUPAC7-methylspiro[2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene-9,1'-cyclopentane]
SMILESCC12CC3(CCCC3)CN1c1ccccc1-n1cccc12
InChIInChI=1S/C19H22N2/c1-18-13-19(10-4-5-11-19)14-21(18)16-8-3-2-7-15(16)20-12-6-9-17(18)20/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3
InChIKeyUXXBYKHIDHWQJM-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.48
Rot. Bonds

About 7-methylspiro[2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene-9,1'-cyclopentane]

7-methylspiro[2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene-9,1'-cyclopentane] (PubChem CID 46221645) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 7-methylspiro[2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene-9,1'-cyclopentane].

Molecular Properties

Compound Name7-methylspiro[2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene-9,1'-cyclopentane]
PubChem CID46221645
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name7-methylspiro[2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene-9,1'-cyclopentane]
SMILESCC12CC3(CCCC3)CN1c1ccccc1-n1cccc12
InChIInChI=1S/C19H22N2/c1-18-13-19(10-4-5-11-19)14-21(18)16-8-3-2-7-15(16)20-12-6-9-17(18)20/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3
InChIKeyUXXBYKHIDHWQJM-UHFFFAOYSA-N
XLogP4.48
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-methylspiro[2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene-9,1'-cyclopentane] 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

5'-propan-2-ylspiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]
CID 53213553
1-spiro[piperidine-4,4'-pyrrolo[1,2-a]quinoxaline]-5'-ylpropan-1-one
CID 92585524
4,4-dideuterio-2-(2-methylphenyl)-3,3-bis(trideuteriomethyl)-2-azaspiro[4.5]decane
CID 169046558
2-(2-methoxy-3-phenylphenyl)-3,3-dimethyl-2-azaspiro[4.5]decane
CID 170182345
1-methyl-6,13-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-2,4,7,9,11,15,17,19-octaen-14-one
CID 56925856
2-(2,6-diethylphenyl)-3,3-dimethyl-2-azaspiro[4.4]nonane
CID 155771376
spiro[5H-pyrrolo[1,2-a]quinoxaline-4,1'-cyclopropane]
CID 154709221
4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carboxamide
CID 91435648
5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane]
CID 115099503
4-methyl-4-phenyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine
CID 14926383
CID 139260778
CID 139260778
1-methyl-6,14,17-triazatetracyclo[12.4.0.02,6.08,13]octadeca-2,4,8,10,12-pentaene-17-carboxamide
CID 54547215

Frequently Asked Questions

What is the IUPAC name of 7-methylspiro[2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene-9,1'-cyclopentane]?
The IUPAC name of 7-methylspiro[2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene-9,1'-cyclopentane] (CID 46221645) is 7-methylspiro[2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene-9,1'-cyclopentane].
What is the SMILES notation for 7-methylspiro[2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene-9,1'-cyclopentane]?
The canonical SMILES for 7-methylspiro[2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene-9,1'-cyclopentane] is CC12CC3(CCCC3)CN1c1ccccc1-n1cccc12.
What is the InChIKey of 7-methylspiro[2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene-9,1'-cyclopentane]?
The InChIKey is UXXBYKHIDHWQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-18-13-19(10-4-5-11-19)14-21(18)16-8-3-2-7-15(16)20-12-6-9-17(18)20/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3.
What are the key properties of 7-methylspiro[2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene-9,1'-cyclopentane]?
7-methylspiro[2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene-9,1'-cyclopentane] has a molecular weight of 278.40 g/mol, XLogP of 4.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylspiro[2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene-9,1'-cyclopentane] is sourced from PubChem (CID 46221645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).