12,12-dimethyl-15-propan-2-yl-5,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene

C24H22N2 — CID 164748394

IUPAC12,12-dimethyl-15-propan-2-yl-5,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene
SMILESCC(C)c1cc2c3c(nccc3c1)-c1cc3ncccc3cc1C2(C)C
InChIInChI=1S/C24H22N2/c1-14(2)17-10-16-7-9-26-23-18-13-21-15(6-5-8-25-21)11-19(18)24(3,4)20(12-17)22(16)23/h5-14H,1-4H3
InChIKeyLEBYUUVHQLDMHB-UHFFFAOYSA-N
MW338.45 g/mol
LogP6.21
Rot. Bonds1

About 12,12-dimethyl-15-propan-2-yl-5,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene

12,12-dimethyl-15-propan-2-yl-5,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene (PubChem CID 164748394) has the molecular formula C24H22N2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 12,12-dimethyl-15-propan-2-yl-5,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene.

Molecular Properties

Compound Name12,12-dimethyl-15-propan-2-yl-5,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene
PubChem CID164748394
Molecular FormulaC24H22N2
Molecular Weight338.45 g/mol
Exact Mass338.18
IUPAC Name12,12-dimethyl-15-propan-2-yl-5,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene
SMILESCC(C)c1cc2c3c(nccc3c1)-c1cc3ncccc3cc1C2(C)C
InChIInChI=1S/C24H22N2/c1-14(2)17-10-16-7-9-26-23-18-13-21-15(6-5-8-25-21)11-19(18)24(3,4)20(12-17)22(16)23/h5-14H,1-4H3
InChIKeyLEBYUUVHQLDMHB-UHFFFAOYSA-N
XLogP6.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 12,12-dimethyl-15-propan-2-yl-5,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene with MolForge

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Related Compounds

12,12,15-trimethyl-8,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene
CID 164748285
15-tert-butylspiro[5,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene-12,9'-fluorene]
CID 164748912
12,12,15-trimethyl-7,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene
CID 164748235
12,12-dimethyl-9-propan-2-yl-20-oxa-4-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1(19),2,4,6(11),7,9,13(18),14,16-nonaene
CID 164814400
10,10-dimethyl-7-N,14-N,18-N,21-N-tetrakis(4-propan-2-ylphenyl)-7-N,14-N,18-N,21-N-tetra(quinolin-6-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine
CID 88555770
1-(9,9-dimethylfluoren-2-yl)-6-propan-2-ylisoquinoline
CID 121282910
(12,12-dimethyl-9,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5(10),6,8,13(21),14,16,18-decaen-15-yl)-trimethylsilane
CID 164748679
17,17-dimethyl-9,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 164705526
9,9,20,20-tetramethyl-6-propan-2-yl-15-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
CID 170363221
6-propan-2-ylquinoline;sulfur dioxide
CID 162251791
11-cyclopentyl-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8,8-dimethyl-11-propan-2-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(2,2-dimethylpropyl)-7,7-dimethylbenzo[a]phenalene;11-(2,2-dimethylpropyl)-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;7,7,10-trimethyl-5-propan-2-ylbenzo[e]perimidine
CID 161189720
15-cyclohexyl-12,12-dimethyl-16,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
CID 164748685

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-15-propan-2-yl-5,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene?
The IUPAC name of 12,12-dimethyl-15-propan-2-yl-5,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene (CID 164748394) is 12,12-dimethyl-15-propan-2-yl-5,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene.
What is the SMILES notation for 12,12-dimethyl-15-propan-2-yl-5,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene?
The canonical SMILES for 12,12-dimethyl-15-propan-2-yl-5,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene is CC(C)c1cc2c3c(nccc3c1)-c1cc3ncccc3cc1C2(C)C.
What is the InChIKey of 12,12-dimethyl-15-propan-2-yl-5,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene?
The InChIKey is LEBYUUVHQLDMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2/c1-14(2)17-10-16-7-9-26-23-18-13-21-15(6-5-8-25-21)11-19(18)24(3,4)20(12-17)22(16)23/h5-14H,1-4H3.
What are the key properties of 12,12-dimethyl-15-propan-2-yl-5,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene?
12,12-dimethyl-15-propan-2-yl-5,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene has a molecular weight of 338.45 g/mol, XLogP of 6.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-15-propan-2-yl-5,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene is sourced from PubChem (CID 164748394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).