3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane

C17H34N4 — CID 157389015

IUPAC3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1C2CCC1CNC2.CC(C)N1CC2CC(C1)N2
InChIInChI=1S/C9H18N2.C8H16N2/c1-7(2)11-8-3-4-9(11)6-10-5-8;1-6(2)10-4-7-3-8(5-10)9-7/h7-10H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3
InChIKeyBLTSOKZKTDEKPR-UHFFFAOYSA-N
MW294.49 g/mol
LogP1.27
Rot. Bonds2

About 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane

3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 157389015) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
PubChem CID157389015
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1C2CCC1CNC2.CC(C)N1CC2CC(C1)N2
InChIInChI=1S/C9H18N2.C8H16N2/c1-7(2)11-8-3-4-9(11)6-10-5-8;1-6(2)10-4-7-3-8(5-10)9-7/h7-10H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3
InChIKeyBLTSOKZKTDEKPR-UHFFFAOYSA-N
XLogP1.27
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane (CID 157389015) is 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane is CC(C)N1C2CCC1CNC2.CC(C)N1CC2CC(C1)N2.
What is the InChIKey of 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is BLTSOKZKTDEKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.C8H16N2/c1-7(2)11-8-3-4-9(11)6-10-5-8;1-6(2)10-4-7-3-8(5-10)9-7/h7-10H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3.
What are the key properties of 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane?
3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 294.49 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 157389015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).