15-methyl-13-(2-methylpropyl)-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaen-9-amine

C17H21N5 — CID 24852290

IUPAC15-methyl-13-(2-methylpropyl)-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaen-9-amine
SMILESCC(C)CN1CC(C)n2c1nc1c(N)nc3ccccc3c12
InChIInChI=1S/C17H21N5/c1-10(2)8-21-9-11(3)22-15-12-6-4-5-7-13(12)19-16(18)14(15)20-17(21)22/h4-7,10-11H,8-9H2,1-3H3,(H2,18,19)
InChIKeyBZMXBFYODKEWSM-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.20
Rot. Bonds2

About 15-methyl-13-(2-methylpropyl)-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaen-9-amine

15-methyl-13-(2-methylpropyl)-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaen-9-amine (PubChem CID 24852290) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 15-methyl-13-(2-methylpropyl)-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaen-9-amine.

Molecular Properties

Compound Name15-methyl-13-(2-methylpropyl)-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaen-9-amine
PubChem CID24852290
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name15-methyl-13-(2-methylpropyl)-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaen-9-amine
SMILESCC(C)CN1CC(C)n2c1nc1c(N)nc3ccccc3c12
InChIInChI=1S/C17H21N5/c1-10(2)8-21-9-11(3)22-15-12-6-4-5-7-13(12)19-16(18)14(15)20-17(21)22/h4-7,10-11H,8-9H2,1-3H3,(H2,18,19)
InChIKeyBZMXBFYODKEWSM-UHFFFAOYSA-N
XLogP3.20
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 15-methyl-13-(2-methylpropyl)-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaen-9-amine with MolForge

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Related Compounds

9-amino-15-methyl-N-propan-2-yl-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaene-13-carboxamide
CID 24852178
1-(2-methylpropyl)-2-phenylimidazo[4,5-c]quinolin-4-amine
CID 11209291
2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine
CID 11630397
1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 11150246
13,16-dimethyl-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-9-amine
CID 69194624
2-fluoropropane;16-methyl-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-9-amine
CID 143258780
1-(2-methylpropyl)-2-pentylimidazo[4,5-c]quinolin-4-amine
CID 11185992
1-(2-methylpropyl)-2-(piperazin-1-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 69318179
1-(2-methylpropyl)-2-(morpholin-4-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 10290980
2-heptyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
CID 11739260
2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
CID 67052415
2-N-methyl-1-(2-methylpropyl)-2-N-prop-2-enylimidazo[4,5-c]quinoline-2,4-diamine
CID 11500546

Frequently Asked Questions

What is the IUPAC name of 15-methyl-13-(2-methylpropyl)-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaen-9-amine?
The IUPAC name of 15-methyl-13-(2-methylpropyl)-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaen-9-amine (CID 24852290) is 15-methyl-13-(2-methylpropyl)-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaen-9-amine.
What is the SMILES notation for 15-methyl-13-(2-methylpropyl)-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaen-9-amine?
The canonical SMILES for 15-methyl-13-(2-methylpropyl)-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaen-9-amine is CC(C)CN1CC(C)n2c1nc1c(N)nc3ccccc3c12.
What is the InChIKey of 15-methyl-13-(2-methylpropyl)-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaen-9-amine?
The InChIKey is BZMXBFYODKEWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-10(2)8-21-9-11(3)22-15-12-6-4-5-7-13(12)19-16(18)14(15)20-17(21)22/h4-7,10-11H,8-9H2,1-3H3,(H2,18,19).
What are the key properties of 15-methyl-13-(2-methylpropyl)-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaen-9-amine?
15-methyl-13-(2-methylpropyl)-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaen-9-amine has a molecular weight of 295.39 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-13-(2-methylpropyl)-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaen-9-amine is sourced from PubChem (CID 24852290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).