(1R,2R,3S,3'S,4S)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine

C13H23N — CID 164833722

IUPAC(1R,2R,3S,3'S,4S)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
SMILESC[C@H]1CCC[C@]2(C1)[C@H]1CC[C@H](C1)[C@H]2N
InChIInChI=1S/C13H23N/c1-9-3-2-6-13(8-9)11-5-4-10(7-11)12(13)14/h9-12H,2-8,14H2,1H3/t9-,10+,11-,12+,13-/m0/s1
InChIKeyOBTFNYITIKOPLN-OFTGVCEQSA-N
MW193.33 g/mol
LogP2.94
Rot. Bonds

About (1R,2R,3S,3'S,4S)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine

(1R,2R,3S,3'S,4S)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine (PubChem CID 164833722) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (1R,2R,3S,3'S,4S)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine.

Molecular Properties

Compound Name(1R,2R,3S,3'S,4S)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
PubChem CID164833722
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(1R,2R,3S,3'S,4S)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
SMILESC[C@H]1CCC[C@]2(C1)[C@H]1CC[C@H](C1)[C@H]2N
InChIInChI=1S/C13H23N/c1-9-3-2-6-13(8-9)11-5-4-10(7-11)12(13)14/h9-12H,2-8,14H2,1H3/t9-,10+,11-,12+,13-/m0/s1
InChIKeyOBTFNYITIKOPLN-OFTGVCEQSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,2R,3S,3'S,4S)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine with MolForge

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Related Compounds

(1S,2S,3R,3'S,4R)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine
CID 164833383
(2S,3R,3'S,4S)-3'-ethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 170439902
(2R,4S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 164833645
(1R,2R,3R,3'R,4S)-3'-(aminomethyl)spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 170439997
1-[(1S,1'R,2R,3S,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]ethanone
CID 170439845
(1R,2R,3R,3'R,4S)-3'-propylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 170439838
1-[(1S,1'S,2S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]ethanone
CID 170439862
(2S,3R,3'R,4S)-3'-propylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 170439916
(1S,2S,3'S,4R,4'S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine
CID 170439888
[(1S,1'S,2R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]methanol
CID 170440223
(1S,2R,3S,3'R,4R)-3'-(methoxymethyl)spiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 164833635
(1R,1'R,2S,3S,4S)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-carboxamide
CID 164833596

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,3'S,4S)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine?
The IUPAC name of (1R,2R,3S,3'S,4S)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine (CID 164833722) is (1R,2R,3S,3'S,4S)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine.
What is the SMILES notation for (1R,2R,3S,3'S,4S)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine?
The canonical SMILES for (1R,2R,3S,3'S,4S)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine is C[C@H]1CCC[C@]2(C1)[C@H]1CC[C@H](C1)[C@H]2N.
What is the InChIKey of (1R,2R,3S,3'S,4S)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine?
The InChIKey is OBTFNYITIKOPLN-OFTGVCEQSA-N. The full InChI is InChI=1S/C13H23N/c1-9-3-2-6-13(8-9)11-5-4-10(7-11)12(13)14/h9-12H,2-8,14H2,1H3/t9-,10+,11-,12+,13-/m0/s1.
What are the key properties of (1R,2R,3S,3'S,4S)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine?
(1R,2R,3S,3'S,4S)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine has a molecular weight of 193.33 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,3'S,4S)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine is sourced from PubChem (CID 164833722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).