(8R)-6-heptan-3-yl-3,6-diazatricyclo[3.2.1.03,8]octane

C13H24N2 — CID 146362025

IUPAC(8R)-6-heptan-3-yl-3,6-diazatricyclo[3.2.1.03,8]octane
SMILESCCCCC(CC)N1CC2CN3CC1[C@@H]23
InChIInChI=1S/C13H24N2/c1-3-5-6-11(4-2)15-8-10-7-14-9-12(15)13(10)14/h10-13H,3-9H2,1-2H3/t10?,11?,12?,13-/m1/s1
InChIKeyCLRGTGDHFATRQH-NODFVKRRSA-N
MW208.35 g/mol
LogP1.95
Rot. Bonds5

About (8R)-6-heptan-3-yl-3,6-diazatricyclo[3.2.1.03,8]octane

(8R)-6-heptan-3-yl-3,6-diazatricyclo[3.2.1.03,8]octane (PubChem CID 146362025) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (8R)-6-heptan-3-yl-3,6-diazatricyclo[3.2.1.03,8]octane.

Molecular Properties

Compound Name(8R)-6-heptan-3-yl-3,6-diazatricyclo[3.2.1.03,8]octane
PubChem CID146362025
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(8R)-6-heptan-3-yl-3,6-diazatricyclo[3.2.1.03,8]octane
SMILESCCCCC(CC)N1CC2CN3CC1[C@@H]23
InChIInChI=1S/C13H24N2/c1-3-5-6-11(4-2)15-8-10-7-14-9-12(15)13(10)14/h10-13H,3-9H2,1-2H3/t10?,11?,12?,13-/m1/s1
InChIKeyCLRGTGDHFATRQH-NODFVKRRSA-N
XLogP1.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8R)-6-heptan-3-yl-3,6-diazatricyclo[3.2.1.03,8]octane?
The IUPAC name of (8R)-6-heptan-3-yl-3,6-diazatricyclo[3.2.1.03,8]octane (CID 146362025) is (8R)-6-heptan-3-yl-3,6-diazatricyclo[3.2.1.03,8]octane.
What is the SMILES notation for (8R)-6-heptan-3-yl-3,6-diazatricyclo[3.2.1.03,8]octane?
The canonical SMILES for (8R)-6-heptan-3-yl-3,6-diazatricyclo[3.2.1.03,8]octane is CCCCC(CC)N1CC2CN3CC1[C@@H]23.
What is the InChIKey of (8R)-6-heptan-3-yl-3,6-diazatricyclo[3.2.1.03,8]octane?
The InChIKey is CLRGTGDHFATRQH-NODFVKRRSA-N. The full InChI is InChI=1S/C13H24N2/c1-3-5-6-11(4-2)15-8-10-7-14-9-12(15)13(10)14/h10-13H,3-9H2,1-2H3/t10?,11?,12?,13-/m1/s1.
What are the key properties of (8R)-6-heptan-3-yl-3,6-diazatricyclo[3.2.1.03,8]octane?
(8R)-6-heptan-3-yl-3,6-diazatricyclo[3.2.1.03,8]octane has a molecular weight of 208.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-6-heptan-3-yl-3,6-diazatricyclo[3.2.1.03,8]octane is sourced from PubChem (CID 146362025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).