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

C27H26N2 — CID 164748685

IUPAC15-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
SMILESCC1(C)c2cc3ccccc3cc2-c2nccc3nc(C4CCCCC4)cc1c23
InChIInChI=1S/C27H26N2/c1-27(2)21-15-19-11-7-6-10-18(19)14-20(21)26-25-22(27)16-24(17-8-4-3-5-9-17)29-23(25)12-13-28-26/h6-7,10-17H,3-5,8-9H2,1-2H3
InChIKeyXXHLABMZZBPNKM-UHFFFAOYSA-N
MW378.52 g/mol
LogP7.14
Rot. Bonds1

About 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

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 (PubChem CID 164748685) has the molecular formula C27H26N2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name15-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
PubChem CID164748685
Molecular FormulaC27H26N2
Molecular Weight378.52 g/mol
Exact Mass378.21
IUPAC Name15-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
SMILESCC1(C)c2cc3ccccc3cc2-c2nccc3nc(C4CCCCC4)cc1c23
InChIInChI=1S/C27H26N2/c1-27(2)21-15-19-11-7-6-10-18(19)14-20(21)26-25-22(27)16-24(17-8-4-3-5-9-17)29-23(25)12-13-28-26/h6-7,10-17H,3-5,8-9H2,1-2H3
InChIKeyXXHLABMZZBPNKM-UHFFFAOYSA-N
XLogP7.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

6,8,28,28-tetramethyl-16-azaheptacyclo[15.11.1.03,12.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene
CID 176880757
15-cyclohexyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
CID 164748368
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
2-(3-cyclooctylnaphthalen-2-yl)pyridine
CID 102473918
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane
CID 91266782
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;naphthalene
CID 158911648
N-(4-cyclohexylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine
CID 164774121
15-tert-butylspiro[20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene-12,1'-cyclopentane]
CID 164748815
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
28,28-dimethyl-6-(2-methylpropyl)-16-azaheptacyclo[15.11.1.03,12.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4(9),5,7,10,12,14,16,18,20,22,24,26-tetradecaene
CID 176880749
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc3ccccc3cc2-c2nccc3nc(C4CCCCC4)cc1c23.
What is the InChIKey of 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?
The InChIKey is XXHLABMZZBPNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2/c1-27(2)21-15-19-11-7-6-10-18(19)14-20(21)26-25-22(27)16-24(17-8-4-3-5-9-17)29-23(25)12-13-28-26/h6-7,10-17H,3-5,8-9H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 378.52 g/mol, XLogP of 7.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164748685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).