N,3-di(propan-2-yl)-7-oxa-3-azabicyclo[4.1.0]heptan-5-amine

C11H22N2O — CID 155161763

IUPACN,3-di(propan-2-yl)-7-oxa-3-azabicyclo[4.1.0]heptan-5-amine
SMILESCC(C)NC1CN(C(C)C)CC2OC12
InChIInChI=1S/C11H22N2O/c1-7(2)12-9-5-13(8(3)4)6-10-11(9)14-10/h7-12H,5-6H2,1-4H3
InChIKeyJVVRFYLBLCLTLP-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.84
Rot. Bonds3

About N,3-di(propan-2-yl)-7-oxa-3-azabicyclo[4.1.0]heptan-5-amine

N,3-di(propan-2-yl)-7-oxa-3-azabicyclo[4.1.0]heptan-5-amine (PubChem CID 155161763) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N,3-di(propan-2-yl)-7-oxa-3-azabicyclo[4.1.0]heptan-5-amine.

Molecular Properties

Compound NameN,3-di(propan-2-yl)-7-oxa-3-azabicyclo[4.1.0]heptan-5-amine
PubChem CID155161763
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN,3-di(propan-2-yl)-7-oxa-3-azabicyclo[4.1.0]heptan-5-amine
SMILESCC(C)NC1CN(C(C)C)CC2OC12
InChIInChI=1S/C11H22N2O/c1-7(2)12-9-5-13(8(3)4)6-10-11(9)14-10/h7-12H,5-6H2,1-4H3
InChIKeyJVVRFYLBLCLTLP-UHFFFAOYSA-N
XLogP0.84
TPSA27.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,3-di(propan-2-yl)-7-oxa-3-azabicyclo[4.1.0]heptan-5-amine?
The IUPAC name of N,3-di(propan-2-yl)-7-oxa-3-azabicyclo[4.1.0]heptan-5-amine (CID 155161763) is N,3-di(propan-2-yl)-7-oxa-3-azabicyclo[4.1.0]heptan-5-amine.
What is the SMILES notation for N,3-di(propan-2-yl)-7-oxa-3-azabicyclo[4.1.0]heptan-5-amine?
The canonical SMILES for N,3-di(propan-2-yl)-7-oxa-3-azabicyclo[4.1.0]heptan-5-amine is CC(C)NC1CN(C(C)C)CC2OC12.
What is the InChIKey of N,3-di(propan-2-yl)-7-oxa-3-azabicyclo[4.1.0]heptan-5-amine?
The InChIKey is JVVRFYLBLCLTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-7(2)12-9-5-13(8(3)4)6-10-11(9)14-10/h7-12H,5-6H2,1-4H3.
What are the key properties of N,3-di(propan-2-yl)-7-oxa-3-azabicyclo[4.1.0]heptan-5-amine?
N,3-di(propan-2-yl)-7-oxa-3-azabicyclo[4.1.0]heptan-5-amine has a molecular weight of 198.31 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-di(propan-2-yl)-7-oxa-3-azabicyclo[4.1.0]heptan-5-amine is sourced from PubChem (CID 155161763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).