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

C13H23N — CID 170439888

IUPAC(1S,2S,3'S,4R,4'S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine
SMILESC[C@H]1CC2(C[C@@H]1C)[C@@H]1CC[C@@H](C1)[C@@H]2N
InChIInChI=1S/C13H23N/c1-8-6-13(7-9(8)2)11-4-3-10(5-11)12(13)14/h8-12H,3-7,14H2,1-2H3/t8-,9-,10-,11+,12-/m0/s1
InChIKeyBZBJGIPUTISANI-NGDQXYMTSA-N
MW193.33 g/mol
LogP2.80
Rot. Bonds

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

(1S,2S,3'S,4R,4'S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine (PubChem CID 170439888) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (1S,2S,3'S,4R,4'S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine.

Molecular Properties

Compound Name(1S,2S,3'S,4R,4'S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine
PubChem CID170439888
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(1S,2S,3'S,4R,4'S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine
SMILESC[C@H]1CC2(C[C@@H]1C)[C@@H]1CC[C@@H](C1)[C@@H]2N
InChIInChI=1S/C13H23N/c1-8-6-13(7-9(8)2)11-4-3-10(5-11)12(13)14/h8-12H,3-7,14H2,1-2H3/t8-,9-,10-,11+,12-/m0/s1
InChIKeyBZBJGIPUTISANI-NGDQXYMTSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,1'S,2'S,3R,4R)-3-amino-2'-methylspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol
CID 164833743
(2R,4S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 164833645
(1S,2'S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1',2'-diol
CID 170440355
(1R,2'R,3S,4S)-3-aminospiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1',2'-diol
CID 167144751
(1S,2S,3R,3'S,4R)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine
CID 164833383
(1R,2R,3S,3'S,4S)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 164833722
(1R,1'S,2S,2'S,3R,4S)-3-amino-2'-methoxyspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol
CID 164833586
(1S,1'R,2R,2'R,3S,4R)-3-amino-2'-methoxyspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol
CID 164833608
(1R,2R,2'S,3S,4S)-3-amino-2'-methoxyspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol
CID 170440078
(1R,1'R,2R,2'R,3S,4S)-3-amino-2'-methoxyspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol
CID 164833771
(2S,3R,3'S,4S)-3'-ethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 170439902
(1R,2R,4S)-3,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 164833462

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3'S,4R,4'S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine?
The IUPAC name of (1S,2S,3'S,4R,4'S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine (CID 170439888) is (1S,2S,3'S,4R,4'S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine.
What is the SMILES notation for (1S,2S,3'S,4R,4'S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine?
The canonical SMILES for (1S,2S,3'S,4R,4'S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine is C[C@H]1CC2(C[C@@H]1C)[C@@H]1CC[C@@H](C1)[C@@H]2N.
What is the InChIKey of (1S,2S,3'S,4R,4'S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine?
The InChIKey is BZBJGIPUTISANI-NGDQXYMTSA-N. The full InChI is InChI=1S/C13H23N/c1-8-6-13(7-9(8)2)11-4-3-10(5-11)12(13)14/h8-12H,3-7,14H2,1-2H3/t8-,9-,10-,11+,12-/m0/s1.
What are the key properties of (1S,2S,3'S,4R,4'S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine?
(1S,2S,3'S,4R,4'S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine has a molecular weight of 193.33 g/mol, XLogP of 2.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3'S,4R,4'S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine is sourced from PubChem (CID 170439888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).