N-methyl-3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-amine

C7H14N2O2 — CID 174341959

IUPACN-methyl-3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-amine
SMILESCNN1C2COCC1COC2
InChIInChI=1S/C7H14N2O2/c1-8-9-6-2-10-4-7(9)5-11-3-6/h6-8H,2-5H2,1H3
InChIKeyJVPIFIALACAZDH-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.78
Rot. Bonds1

About N-methyl-3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-amine

N-methyl-3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-amine (PubChem CID 174341959) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is N-methyl-3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-amine.

Molecular Properties

Compound NameN-methyl-3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-amine
PubChem CID174341959
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC NameN-methyl-3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-amine
SMILESCNN1C2COCC1COC2
InChIInChI=1S/C7H14N2O2/c1-8-9-6-2-10-4-7(9)5-11-3-6/h6-8H,2-5H2,1H3
InChIKeyJVPIFIALACAZDH-UHFFFAOYSA-N
XLogP-0.78
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-amine?
The IUPAC name of N-methyl-3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-amine (CID 174341959) is N-methyl-3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-amine.
What is the SMILES notation for N-methyl-3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-amine?
The canonical SMILES for N-methyl-3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-amine is CNN1C2COCC1COC2.
What is the InChIKey of N-methyl-3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-amine?
The InChIKey is JVPIFIALACAZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-8-9-6-2-10-4-7(9)5-11-3-6/h6-8H,2-5H2,1H3.
What are the key properties of N-methyl-3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-amine?
N-methyl-3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-amine has a molecular weight of 158.20 g/mol, XLogP of -0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-amine is sourced from PubChem (CID 174341959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).