(1R,8R)-10-(cyclohexylmethyl)-9-methyl-5-(4-methylpiperazin-1-yl)-9,10-diazatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene

C24H38N4 — CID 145300366

IUPAC(1R,8R)-10-(cyclohexylmethyl)-9-methyl-5-(4-methylpiperazin-1-yl)-9,10-diazatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene
SMILESCN1CCN(c2ccc3c(c2)[C@H]2C[C@H]3CCN(CC3CCCCC3)N2C)CC1
InChIInChI=1S/C24H38N4/c1-25-12-14-27(15-13-25)21-8-9-22-20-10-11-28(18-19-6-4-3-5-7-19)26(2)24(16-20)23(22)17-21/h8-9,17,19-20,24H,3-7,10-16,18H2,1-2H3/t20-,24-/m1/s1
InChIKeyLHXLUVMRBHJISK-HYBUGGRVSA-N
MW382.60 g/mol
LogP4.10
Rot. Bonds3

About (1R,8R)-10-(cyclohexylmethyl)-9-methyl-5-(4-methylpiperazin-1-yl)-9,10-diazatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene

(1R,8R)-10-(cyclohexylmethyl)-9-methyl-5-(4-methylpiperazin-1-yl)-9,10-diazatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene (PubChem CID 145300366) has the molecular formula C24H38N4 and a molecular weight of 382.60 g/mol. Its IUPAC name is (1R,8R)-10-(cyclohexylmethyl)-9-methyl-5-(4-methylpiperazin-1-yl)-9,10-diazatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene.

Molecular Properties

Compound Name(1R,8R)-10-(cyclohexylmethyl)-9-methyl-5-(4-methylpiperazin-1-yl)-9,10-diazatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene
PubChem CID145300366
Molecular FormulaC24H38N4
Molecular Weight382.60 g/mol
Exact Mass382.31
IUPAC Name(1R,8R)-10-(cyclohexylmethyl)-9-methyl-5-(4-methylpiperazin-1-yl)-9,10-diazatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene
SMILESCN1CCN(c2ccc3c(c2)[C@H]2C[C@H]3CCN(CC3CCCCC3)N2C)CC1
InChIInChI=1S/C24H38N4/c1-25-12-14-27(15-13-25)21-8-9-22-20-10-11-28(18-19-6-4-3-5-7-19)26(2)24(16-20)23(22)17-21/h8-9,17,19-20,24H,3-7,10-16,18H2,1-2H3/t20-,24-/m1/s1
InChIKeyLHXLUVMRBHJISK-HYBUGGRVSA-N
XLogP4.10
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.60
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,8R)-10-(cyclohexylmethyl)-9-methyl-5-(4-methylpiperazin-1-yl)-9,10-diazatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,8R)-10-(cyclohexylmethyl)-9-methyl-5-(4-methylpiperazin-1-yl)-9,10-diazatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene?
The IUPAC name of (1R,8R)-10-(cyclohexylmethyl)-9-methyl-5-(4-methylpiperazin-1-yl)-9,10-diazatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene (CID 145300366) is (1R,8R)-10-(cyclohexylmethyl)-9-methyl-5-(4-methylpiperazin-1-yl)-9,10-diazatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene.
What is the SMILES notation for (1R,8R)-10-(cyclohexylmethyl)-9-methyl-5-(4-methylpiperazin-1-yl)-9,10-diazatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene?
The canonical SMILES for (1R,8R)-10-(cyclohexylmethyl)-9-methyl-5-(4-methylpiperazin-1-yl)-9,10-diazatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene is CN1CCN(c2ccc3c(c2)[C@H]2C[C@H]3CCN(CC3CCCCC3)N2C)CC1.
What is the InChIKey of (1R,8R)-10-(cyclohexylmethyl)-9-methyl-5-(4-methylpiperazin-1-yl)-9,10-diazatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene?
The InChIKey is LHXLUVMRBHJISK-HYBUGGRVSA-N. The full InChI is InChI=1S/C24H38N4/c1-25-12-14-27(15-13-25)21-8-9-22-20-10-11-28(18-19-6-4-3-5-7-19)26(2)24(16-20)23(22)17-21/h8-9,17,19-20,24H,3-7,10-16,18H2,1-2H3/t20-,24-/m1/s1.
What are the key properties of (1R,8R)-10-(cyclohexylmethyl)-9-methyl-5-(4-methylpiperazin-1-yl)-9,10-diazatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene?
(1R,8R)-10-(cyclohexylmethyl)-9-methyl-5-(4-methylpiperazin-1-yl)-9,10-diazatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene has a molecular weight of 382.60 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R)-10-(cyclohexylmethyl)-9-methyl-5-(4-methylpiperazin-1-yl)-9,10-diazatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene is sourced from PubChem (CID 145300366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).