4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxolan-3-amine

C13H25N3O — CID 79171064

IUPAC4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxolan-3-amine
SMILESCN1C2CCC1CN(CC1COCC1N)CC2
InChIInChI=1S/C13H25N3O/c1-15-11-2-3-12(15)7-16(5-4-11)6-10-8-17-9-13(10)14/h10-13H,2-9,14H2,1H3
InChIKeyZADACTUCEQMBAD-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.13
Rot. Bonds2

About 4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxolan-3-amine

4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxolan-3-amine (PubChem CID 79171064) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxolan-3-amine
PubChem CID79171064
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxolan-3-amine
SMILESCN1C2CCC1CN(CC1COCC1N)CC2
InChIInChI=1S/C13H25N3O/c1-15-11-2-3-12(15)7-16(5-4-11)6-10-8-17-9-13(10)14/h10-13H,2-9,14H2,1H3
InChIKeyZADACTUCEQMBAD-UHFFFAOYSA-N
XLogP0.13
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxolan-3-amine?
The IUPAC name of 4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxolan-3-amine (CID 79171064) is 4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxolan-3-amine?
The canonical SMILES for 4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxolan-3-amine is CN1C2CCC1CN(CC1COCC1N)CC2.
What is the InChIKey of 4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxolan-3-amine?
The InChIKey is ZADACTUCEQMBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-15-11-2-3-12(15)7-16(5-4-11)6-10-8-17-9-13(10)14/h10-13H,2-9,14H2,1H3.
What are the key properties of 4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxolan-3-amine?
4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxolan-3-amine has a molecular weight of 239.36 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 79171064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).