N-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine

C9H18N2O — CID 118410155

IUPACN-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine
SMILESCC(C)NC1CC2CNCC1O2
InChIInChI=1S/C9H18N2O/c1-6(2)11-8-3-7-4-10-5-9(8)12-7/h6-11H,3-5H2,1-2H3
InChIKeyYGMIHAWYQKGSOL-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.11
Rot. Bonds2

About N-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine

N-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine (PubChem CID 118410155) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine.

Molecular Properties

Compound NameN-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine
PubChem CID118410155
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine
SMILESCC(C)NC1CC2CNCC1O2
InChIInChI=1S/C9H18N2O/c1-6(2)11-8-3-7-4-10-5-9(8)12-7/h6-11H,3-5H2,1-2H3
InChIKeyYGMIHAWYQKGSOL-UHFFFAOYSA-N
XLogP0.11
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine?
The IUPAC name of N-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine (CID 118410155) is N-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine.
What is the SMILES notation for N-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine?
The canonical SMILES for N-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine is CC(C)NC1CC2CNCC1O2.
What is the InChIKey of N-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine?
The InChIKey is YGMIHAWYQKGSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-6(2)11-8-3-7-4-10-5-9(8)12-7/h6-11H,3-5H2,1-2H3.
What are the key properties of N-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine?
N-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine has a molecular weight of 170.26 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine is sourced from PubChem (CID 118410155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).