(2R,3'R,4R)-3',4'-dimethoxy-7-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine

C14H25NO2 — CID 167144756

IUPAC(2R,3'R,4R)-3',4'-dimethoxy-7-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine
SMILESCOC1CC2(C[C@H]1OC)[C@H](N)C1CC[C@@H]2C1C
InChIInChI=1S/C14H25NO2/c1-8-9-4-5-10(8)14(13(9)15)6-11(16-2)12(7-14)17-3/h8-13H,4-7,15H2,1-3H3/t8?,9?,10-,11-,12?,13-,14?/m1/s1
InChIKeyIAEHQEOINYEZCR-DSTQEKHTSA-N
MW239.36 g/mol
LogP1.80
Rot. Bonds2

About (2R,3'R,4R)-3',4'-dimethoxy-7-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine

(2R,3'R,4R)-3',4'-dimethoxy-7-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine (PubChem CID 167144756) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (2R,3'R,4R)-3',4'-dimethoxy-7-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine.

Molecular Properties

Compound Name(2R,3'R,4R)-3',4'-dimethoxy-7-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine
PubChem CID167144756
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(2R,3'R,4R)-3',4'-dimethoxy-7-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine
SMILESCOC1CC2(C[C@H]1OC)[C@H](N)C1CC[C@@H]2C1C
InChIInChI=1S/C14H25NO2/c1-8-9-4-5-10(8)14(13(9)15)6-11(16-2)12(7-14)17-3/h8-13H,4-7,15H2,1-3H3/t8?,9?,10-,11-,12?,13-,14?/m1/s1
InChIKeyIAEHQEOINYEZCR-DSTQEKHTSA-N
XLogP1.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3'R,4R)-3',4'-dimethoxy-7-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine?
The IUPAC name of (2R,3'R,4R)-3',4'-dimethoxy-7-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine (CID 167144756) is (2R,3'R,4R)-3',4'-dimethoxy-7-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine.
What is the SMILES notation for (2R,3'R,4R)-3',4'-dimethoxy-7-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine?
The canonical SMILES for (2R,3'R,4R)-3',4'-dimethoxy-7-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine is COC1CC2(C[C@H]1OC)[C@H](N)C1CC[C@@H]2C1C.
What is the InChIKey of (2R,3'R,4R)-3',4'-dimethoxy-7-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine?
The InChIKey is IAEHQEOINYEZCR-DSTQEKHTSA-N. The full InChI is InChI=1S/C14H25NO2/c1-8-9-4-5-10(8)14(13(9)15)6-11(16-2)12(7-14)17-3/h8-13H,4-7,15H2,1-3H3/t8?,9?,10-,11-,12?,13-,14?/m1/s1.
What are the key properties of (2R,3'R,4R)-3',4'-dimethoxy-7-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine?
(2R,3'R,4R)-3',4'-dimethoxy-7-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine has a molecular weight of 239.36 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3'R,4R)-3',4'-dimethoxy-7-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine is sourced from PubChem (CID 167144756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).