4-(2-methylpropyl)-1,4-diazatricyclo[4.3.1.13,8]undecane

C13H24N2 — CID 70936465

IUPAC4-(2-methylpropyl)-1,4-diazatricyclo[4.3.1.13,8]undecane
SMILESCC(C)CN1CC2CC3CC1CN(C3)C2
InChIInChI=1S/C13H24N2/c1-10(2)5-15-8-12-3-11-4-13(15)9-14(6-11)7-12/h10-13H,3-9H2,1-2H3
InChIKeyOYGXGAYYXNQXSH-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.67
Rot. Bonds2

About 4-(2-methylpropyl)-1,4-diazatricyclo[4.3.1.13,8]undecane

4-(2-methylpropyl)-1,4-diazatricyclo[4.3.1.13,8]undecane (PubChem CID 70936465) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 4-(2-methylpropyl)-1,4-diazatricyclo[4.3.1.13,8]undecane.

Molecular Properties

Compound Name4-(2-methylpropyl)-1,4-diazatricyclo[4.3.1.13,8]undecane
PubChem CID70936465
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name4-(2-methylpropyl)-1,4-diazatricyclo[4.3.1.13,8]undecane
SMILESCC(C)CN1CC2CC3CC1CN(C3)C2
InChIInChI=1S/C13H24N2/c1-10(2)5-15-8-12-3-11-4-13(15)9-14(6-11)7-12/h10-13H,3-9H2,1-2H3
InChIKeyOYGXGAYYXNQXSH-UHFFFAOYSA-N
XLogP1.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-1,4-diazatricyclo[4.3.1.13,8]undecane?
The IUPAC name of 4-(2-methylpropyl)-1,4-diazatricyclo[4.3.1.13,8]undecane (CID 70936465) is 4-(2-methylpropyl)-1,4-diazatricyclo[4.3.1.13,8]undecane.
What is the SMILES notation for 4-(2-methylpropyl)-1,4-diazatricyclo[4.3.1.13,8]undecane?
The canonical SMILES for 4-(2-methylpropyl)-1,4-diazatricyclo[4.3.1.13,8]undecane is CC(C)CN1CC2CC3CC1CN(C3)C2.
What is the InChIKey of 4-(2-methylpropyl)-1,4-diazatricyclo[4.3.1.13,8]undecane?
The InChIKey is OYGXGAYYXNQXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-10(2)5-15-8-12-3-11-4-13(15)9-14(6-11)7-12/h10-13H,3-9H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-1,4-diazatricyclo[4.3.1.13,8]undecane?
4-(2-methylpropyl)-1,4-diazatricyclo[4.3.1.13,8]undecane has a molecular weight of 208.35 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-1,4-diazatricyclo[4.3.1.13,8]undecane is sourced from PubChem (CID 70936465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).