19-cyclohexyl-9,15-dimethyl-9,12-diazatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene

C25H30N2 — CID 66801491

IUPAC19-cyclohexyl-9,15-dimethyl-9,12-diazatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene
SMILESCc1ccc2c(C3CCCCC3)c3n(c2c1)CCN(C)Cc1ccccc1-3
InChIInChI=1S/C25H30N2/c1-18-12-13-22-23(16-18)27-15-14-26(2)17-20-10-6-7-11-21(20)25(27)24(22)19-8-4-3-5-9-19/h6-7,10-13,16,19H,3-5,8-9,14-15,17H2,1-2H3
InChIKeyPLWDOWYODSKMRU-UHFFFAOYSA-N
MW358.53 g/mol
LogP6.11
Rot. Bonds1

About 19-cyclohexyl-9,15-dimethyl-9,12-diazatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene

19-cyclohexyl-9,15-dimethyl-9,12-diazatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene (PubChem CID 66801491) has the molecular formula C25H30N2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 19-cyclohexyl-9,15-dimethyl-9,12-diazatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene.

Molecular Properties

Compound Name19-cyclohexyl-9,15-dimethyl-9,12-diazatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene
PubChem CID66801491
Molecular FormulaC25H30N2
Molecular Weight358.53 g/mol
Exact Mass358.24
IUPAC Name19-cyclohexyl-9,15-dimethyl-9,12-diazatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene
SMILESCc1ccc2c(C3CCCCC3)c3n(c2c1)CCN(C)Cc1ccccc1-3
InChIInChI=1S/C25H30N2/c1-18-12-13-22-23(16-18)27-15-14-26(2)17-20-10-6-7-11-21(20)25(27)24(22)19-8-4-3-5-9-19/h6-7,10-13,16,19H,3-5,8-9,14-15,17H2,1-2H3
InChIKeyPLWDOWYODSKMRU-UHFFFAOYSA-N
XLogP6.11
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 19-cyclohexyl-9,15-dimethyl-9,12-diazatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 19-cyclohexyl-9,15-dimethyl-9,12-diazatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene?
The IUPAC name of 19-cyclohexyl-9,15-dimethyl-9,12-diazatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene (CID 66801491) is 19-cyclohexyl-9,15-dimethyl-9,12-diazatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene.
What is the SMILES notation for 19-cyclohexyl-9,15-dimethyl-9,12-diazatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene?
The canonical SMILES for 19-cyclohexyl-9,15-dimethyl-9,12-diazatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene is Cc1ccc2c(C3CCCCC3)c3n(c2c1)CCN(C)Cc1ccccc1-3.
What is the InChIKey of 19-cyclohexyl-9,15-dimethyl-9,12-diazatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene?
The InChIKey is PLWDOWYODSKMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2/c1-18-12-13-22-23(16-18)27-15-14-26(2)17-20-10-6-7-11-21(20)25(27)24(22)19-8-4-3-5-9-19/h6-7,10-13,16,19H,3-5,8-9,14-15,17H2,1-2H3.
What are the key properties of 19-cyclohexyl-9,15-dimethyl-9,12-diazatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene?
19-cyclohexyl-9,15-dimethyl-9,12-diazatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene has a molecular weight of 358.53 g/mol, XLogP of 6.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 19-cyclohexyl-9,15-dimethyl-9,12-diazatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene is sourced from PubChem (CID 66801491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).