2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane

C18H36N4 — CID 157288011

IUPAC2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
SMILESCC(C)N1CC2CC(C1)N2C.CC(C)N1CC2CC1CN2C
InChIInChI=1S/2C9H18N2/c1-7(2)11-6-8-4-9(11)5-10(8)3;1-7(2)11-5-8-4-9(6-11)10(8)3/h2*7-9H,4-6H2,1-3H3
InChIKeyBALUTFMYNIBTMD-UHFFFAOYSA-N
MW308.51 g/mol
LogP1.57
Rot. Bonds2

About 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane

2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 157288011) has the molecular formula C18H36N4 and a molecular weight of 308.51 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
PubChem CID157288011
Molecular FormulaC18H36N4
Molecular Weight308.51 g/mol
Exact Mass308.29
IUPAC Name2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
SMILESCC(C)N1CC2CC(C1)N2C.CC(C)N1CC2CC1CN2C
InChIInChI=1S/2C9H18N2/c1-7(2)11-6-8-4-9(11)5-10(8)3;1-7(2)11-5-8-4-9(6-11)10(8)3/h2*7-9H,4-6H2,1-3H3
InChIKeyBALUTFMYNIBTMD-UHFFFAOYSA-N
XLogP1.57
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane?
The IUPAC name of 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane (CID 157288011) is 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane is CC(C)N1CC2CC(C1)N2C.CC(C)N1CC2CC1CN2C.
What is the InChIKey of 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane?
The InChIKey is BALUTFMYNIBTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18N2/c1-7(2)11-6-8-4-9(11)5-10(8)3;1-7(2)11-5-8-4-9(6-11)10(8)3/h2*7-9H,4-6H2,1-3H3.
What are the key properties of 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane?
2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane has a molecular weight of 308.51 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 157288011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).