N-tert-butyl-6-methyl-2-oxabicyclo[4.1.0]heptan-1-amine

C11H21NO — CID 14025041

IUPACN-tert-butyl-6-methyl-2-oxabicyclo[4.1.0]heptan-1-amine
SMILESCC(C)(C)NC12CC1(C)CCCO2
InChIInChI=1S/C11H21NO/c1-9(2,3)12-11-8-10(11,4)6-5-7-13-11/h12H,5-8H2,1-4H3
InChIKeyDFZHDRJTAZCJLF-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.29
Rot. Bonds1

About N-tert-butyl-6-methyl-2-oxabicyclo[4.1.0]heptan-1-amine

N-tert-butyl-6-methyl-2-oxabicyclo[4.1.0]heptan-1-amine (PubChem CID 14025041) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-tert-butyl-6-methyl-2-oxabicyclo[4.1.0]heptan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-6-methyl-2-oxabicyclo[4.1.0]heptan-1-amine
PubChem CID14025041
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-tert-butyl-6-methyl-2-oxabicyclo[4.1.0]heptan-1-amine
SMILESCC(C)(C)NC12CC1(C)CCCO2
InChIInChI=1S/C11H21NO/c1-9(2,3)12-11-8-10(11,4)6-5-7-13-11/h12H,5-8H2,1-4H3
InChIKeyDFZHDRJTAZCJLF-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-methyl-2-oxabicyclo[4.1.0]heptan-1-amine?
The IUPAC name of N-tert-butyl-6-methyl-2-oxabicyclo[4.1.0]heptan-1-amine (CID 14025041) is N-tert-butyl-6-methyl-2-oxabicyclo[4.1.0]heptan-1-amine.
What is the SMILES notation for N-tert-butyl-6-methyl-2-oxabicyclo[4.1.0]heptan-1-amine?
The canonical SMILES for N-tert-butyl-6-methyl-2-oxabicyclo[4.1.0]heptan-1-amine is CC(C)(C)NC12CC1(C)CCCO2.
What is the InChIKey of N-tert-butyl-6-methyl-2-oxabicyclo[4.1.0]heptan-1-amine?
The InChIKey is DFZHDRJTAZCJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2,3)12-11-8-10(11,4)6-5-7-13-11/h12H,5-8H2,1-4H3.
What are the key properties of N-tert-butyl-6-methyl-2-oxabicyclo[4.1.0]heptan-1-amine?
N-tert-butyl-6-methyl-2-oxabicyclo[4.1.0]heptan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-methyl-2-oxabicyclo[4.1.0]heptan-1-amine is sourced from PubChem (CID 14025041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).