6-methyl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3,6-diazabicyclo[3.2.0]heptane

C14H26N2O — CID 170676624

IUPAC6-methyl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3,6-diazabicyclo[3.2.0]heptane
SMILESCC(C)OCC1(CN2CC3CN(C)C3C2)CC1
InChIInChI=1S/C14H26N2O/c1-11(2)17-10-14(4-5-14)9-16-7-12-6-15(3)13(12)8-16/h11-13H,4-10H2,1-3H3
InChIKeyPXOLNLXSLUOYJC-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.44
Rot. Bonds5

About 6-methyl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3,6-diazabicyclo[3.2.0]heptane

6-methyl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3,6-diazabicyclo[3.2.0]heptane (PubChem CID 170676624) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 6-methyl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3,6-diazabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name6-methyl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3,6-diazabicyclo[3.2.0]heptane
PubChem CID170676624
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name6-methyl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3,6-diazabicyclo[3.2.0]heptane
SMILESCC(C)OCC1(CN2CC3CN(C)C3C2)CC1
InChIInChI=1S/C14H26N2O/c1-11(2)17-10-14(4-5-14)9-16-7-12-6-15(3)13(12)8-16/h11-13H,4-10H2,1-3H3
InChIKeyPXOLNLXSLUOYJC-UHFFFAOYSA-N
XLogP1.44
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3,6-diazabicyclo[3.2.0]heptane?
The IUPAC name of 6-methyl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3,6-diazabicyclo[3.2.0]heptane (CID 170676624) is 6-methyl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3,6-diazabicyclo[3.2.0]heptane.
What is the SMILES notation for 6-methyl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3,6-diazabicyclo[3.2.0]heptane?
The canonical SMILES for 6-methyl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3,6-diazabicyclo[3.2.0]heptane is CC(C)OCC1(CN2CC3CN(C)C3C2)CC1.
What is the InChIKey of 6-methyl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3,6-diazabicyclo[3.2.0]heptane?
The InChIKey is PXOLNLXSLUOYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11(2)17-10-14(4-5-14)9-16-7-12-6-15(3)13(12)8-16/h11-13H,4-10H2,1-3H3.
What are the key properties of 6-methyl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3,6-diazabicyclo[3.2.0]heptane?
6-methyl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3,6-diazabicyclo[3.2.0]heptane has a molecular weight of 238.37 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3,6-diazabicyclo[3.2.0]heptane is sourced from PubChem (CID 170676624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).