2-methyl-2,11-diazatricyclo[10.8.2.13,10]tricosane

C22H42N2 — CID 138644443

IUPAC2-methyl-2,11-diazatricyclo[10.8.2.13,10]tricosane
SMILESCN1C2CCCCCCCCC(CC2)NC2CCCCCCC1C2
InChIInChI=1S/C22H42N2/c1-24-21-14-10-5-3-2-4-8-12-19(16-17-21)23-20-13-9-6-7-11-15-22(24)18-20/h19-23H,2-18H2,1H3
InChIKeySVVVHSDAVKRZPI-UHFFFAOYSA-N
MW334.59 g/mol
LogP5.65
Rot. Bonds

About 2-methyl-2,11-diazatricyclo[10.8.2.13,10]tricosane

2-methyl-2,11-diazatricyclo[10.8.2.13,10]tricosane (PubChem CID 138644443) has the molecular formula C22H42N2 and a molecular weight of 334.59 g/mol. Its IUPAC name is 2-methyl-2,11-diazatricyclo[10.8.2.13,10]tricosane.

Molecular Properties

Compound Name2-methyl-2,11-diazatricyclo[10.8.2.13,10]tricosane
PubChem CID138644443
Molecular FormulaC22H42N2
Molecular Weight334.59 g/mol
Exact Mass334.33
IUPAC Name2-methyl-2,11-diazatricyclo[10.8.2.13,10]tricosane
SMILESCN1C2CCCCCCCCC(CC2)NC2CCCCCCC1C2
InChIInChI=1S/C22H42N2/c1-24-21-14-10-5-3-2-4-8-12-19(16-17-21)23-20-13-9-6-7-11-15-22(24)18-20/h19-23H,2-18H2,1H3
InChIKeySVVVHSDAVKRZPI-UHFFFAOYSA-N
XLogP5.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,11-diazatricyclo[10.8.2.13,10]tricosane?
The IUPAC name of 2-methyl-2,11-diazatricyclo[10.8.2.13,10]tricosane (CID 138644443) is 2-methyl-2,11-diazatricyclo[10.8.2.13,10]tricosane.
What is the SMILES notation for 2-methyl-2,11-diazatricyclo[10.8.2.13,10]tricosane?
The canonical SMILES for 2-methyl-2,11-diazatricyclo[10.8.2.13,10]tricosane is CN1C2CCCCCCCCC(CC2)NC2CCCCCCC1C2.
What is the InChIKey of 2-methyl-2,11-diazatricyclo[10.8.2.13,10]tricosane?
The InChIKey is SVVVHSDAVKRZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2/c1-24-21-14-10-5-3-2-4-8-12-19(16-17-21)23-20-13-9-6-7-11-15-22(24)18-20/h19-23H,2-18H2,1H3.
What are the key properties of 2-methyl-2,11-diazatricyclo[10.8.2.13,10]tricosane?
2-methyl-2,11-diazatricyclo[10.8.2.13,10]tricosane has a molecular weight of 334.59 g/mol, XLogP of 5.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,11-diazatricyclo[10.8.2.13,10]tricosane is sourced from PubChem (CID 138644443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).