12,12-dimethyl-8-propan-2-yl-3,15-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene

C24H22N2 — CID 164748559

IUPAC12,12-dimethyl-8-propan-2-yl-3,15-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
SMILESCC(C)c1ccc2cnc3c(c2c1)C(C)(C)c1cncc2cccc-3c12
InChIInChI=1S/C24H22N2/c1-14(2)15-8-9-16-12-26-23-18-7-5-6-17-11-25-13-20(21(17)18)24(3,4)22(23)19(16)10-15/h5-14H,1-4H3
InChIKeyQISAXXQTCFTVAV-UHFFFAOYSA-N
MW338.45 g/mol
LogP6.21
Rot. Bonds1

About 12,12-dimethyl-8-propan-2-yl-3,15-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene

12,12-dimethyl-8-propan-2-yl-3,15-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene (PubChem CID 164748559) has the molecular formula C24H22N2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 12,12-dimethyl-8-propan-2-yl-3,15-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene.

Molecular Properties

Compound Name12,12-dimethyl-8-propan-2-yl-3,15-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
PubChem CID164748559
Molecular FormulaC24H22N2
Molecular Weight338.45 g/mol
Exact Mass338.18
IUPAC Name12,12-dimethyl-8-propan-2-yl-3,15-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
SMILESCC(C)c1ccc2cnc3c(c2c1)C(C)(C)c1cncc2cccc-3c12
InChIInChI=1S/C24H22N2/c1-14(2)15-8-9-16-12-26-23-18-7-5-6-17-11-25-13-20(21(17)18)24(3,4)22(23)19(16)10-15/h5-14H,1-4H3
InChIKeyQISAXXQTCFTVAV-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-8-propan-2-yl-3,15-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene with MolForge

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Related Compounds

12,16,16-trimethyl-20-propan-2-yl-24-oxa-7-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6,8,10,12,14,17(22),18,20-undecaene
CID 164815447
16,16-dimethyl-24-selena-7-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaene
CID 164814707
12,12-dimethyl-8-phenyl-3,18-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
CID 164748916
14-N,18-N,21-N-tri(isoquinolin-4-yl)-10,10-dimethyl-14-N,18-N,21-N-tris(4-propan-2-ylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-14,18,21-triamine
CID 88555617
20,20-dimethyl-5-propan-2-yl-9-thia-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 170363204
3,12,12-trimethyl-21-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 58049992
20-(2,2-dimethylpropyl)-16,16-dimethyl-24-oxa-7-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1,3,5(23),6(15),7,9,11,13,17(22),18,20-undecaene
CID 164814946
4,7,7-trimethyl-9-propan-2-ylbenzo[a]phenalene
CID 90901601
3-butyl-3-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-2-one
CID 167523062
7,7-dimethyl-10-propan-2-ylbenzo[c]fluorene
CID 140704515
9,9-dimethyl-1,6-di(propan-2-yl)fluorene
CID 158076847
17,17-dimethyl-4,12-di(propan-2-yl)-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene
CID 176726676

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-8-propan-2-yl-3,15-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene?
The IUPAC name of 12,12-dimethyl-8-propan-2-yl-3,15-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene (CID 164748559) is 12,12-dimethyl-8-propan-2-yl-3,15-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene.
What is the SMILES notation for 12,12-dimethyl-8-propan-2-yl-3,15-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene?
The canonical SMILES for 12,12-dimethyl-8-propan-2-yl-3,15-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene is CC(C)c1ccc2cnc3c(c2c1)C(C)(C)c1cncc2cccc-3c12.
What is the InChIKey of 12,12-dimethyl-8-propan-2-yl-3,15-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene?
The InChIKey is QISAXXQTCFTVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2/c1-14(2)15-8-9-16-12-26-23-18-7-5-6-17-11-25-13-20(21(17)18)24(3,4)22(23)19(16)10-15/h5-14H,1-4H3.
What are the key properties of 12,12-dimethyl-8-propan-2-yl-3,15-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene?
12,12-dimethyl-8-propan-2-yl-3,15-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(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-8-propan-2-yl-3,15-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene is sourced from PubChem (CID 164748559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).