(1R,6S)-6-methyl-N-propan-2-yl-2-oxabicyclo[4.1.0]heptan-1-amine

C10H19NO — CID 14025040

IUPAC(1R,6S)-6-methyl-N-propan-2-yl-2-oxabicyclo[4.1.0]heptan-1-amine
SMILESCC(C)N[C@@]12C[C@]1(C)CCCO2
InChIInChI=1S/C10H19NO/c1-8(2)11-10-7-9(10,3)5-4-6-12-10/h8,11H,4-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyJOLVPDFPWYCSNB-VHSXEESVSA-N
MW169.27 g/mol
LogP1.90
Rot. Bonds2

About (1R,6S)-6-methyl-N-propan-2-yl-2-oxabicyclo[4.1.0]heptan-1-amine

(1R,6S)-6-methyl-N-propan-2-yl-2-oxabicyclo[4.1.0]heptan-1-amine (PubChem CID 14025040) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (1R,6S)-6-methyl-N-propan-2-yl-2-oxabicyclo[4.1.0]heptan-1-amine.

Molecular Properties

Compound Name(1R,6S)-6-methyl-N-propan-2-yl-2-oxabicyclo[4.1.0]heptan-1-amine
PubChem CID14025040
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(1R,6S)-6-methyl-N-propan-2-yl-2-oxabicyclo[4.1.0]heptan-1-amine
SMILESCC(C)N[C@@]12C[C@]1(C)CCCO2
InChIInChI=1S/C10H19NO/c1-8(2)11-10-7-9(10,3)5-4-6-12-10/h8,11H,4-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyJOLVPDFPWYCSNB-VHSXEESVSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,6S)-6-methyl-N-propan-2-yl-2-oxabicyclo[4.1.0]heptan-1-amine?
The IUPAC name of (1R,6S)-6-methyl-N-propan-2-yl-2-oxabicyclo[4.1.0]heptan-1-amine (CID 14025040) is (1R,6S)-6-methyl-N-propan-2-yl-2-oxabicyclo[4.1.0]heptan-1-amine.
What is the SMILES notation for (1R,6S)-6-methyl-N-propan-2-yl-2-oxabicyclo[4.1.0]heptan-1-amine?
The canonical SMILES for (1R,6S)-6-methyl-N-propan-2-yl-2-oxabicyclo[4.1.0]heptan-1-amine is CC(C)N[C@@]12C[C@]1(C)CCCO2.
What is the InChIKey of (1R,6S)-6-methyl-N-propan-2-yl-2-oxabicyclo[4.1.0]heptan-1-amine?
The InChIKey is JOLVPDFPWYCSNB-VHSXEESVSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)11-10-7-9(10,3)5-4-6-12-10/h8,11H,4-7H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of (1R,6S)-6-methyl-N-propan-2-yl-2-oxabicyclo[4.1.0]heptan-1-amine?
(1R,6S)-6-methyl-N-propan-2-yl-2-oxabicyclo[4.1.0]heptan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-6-methyl-N-propan-2-yl-2-oxabicyclo[4.1.0]heptan-1-amine is sourced from PubChem (CID 14025040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).