(2',2'-dimethylspiro[bicyclo[2.2.2]octane-2,3'-cyclopropane]-1'-yl)methanamine

C13H23N — CID 130756561

IUPAC(2',2'-dimethylspiro[bicyclo[2.2.2]octane-2,3'-cyclopropane]-1'-yl)methanamine
SMILESCC1(C)C(CN)C12CC1CCC2CC1
InChIInChI=1S/C13H23N/c1-12(2)11(8-14)13(12)7-9-3-5-10(13)6-4-9/h9-11H,3-8,14H2,1-2H3
InChIKeyZXLZKFKWVKODDZ-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.80
Rot. Bonds1

About (2',2'-dimethylspiro[bicyclo[2.2.2]octane-2,3'-cyclopropane]-1'-yl)methanamine

(2',2'-dimethylspiro[bicyclo[2.2.2]octane-2,3'-cyclopropane]-1'-yl)methanamine (PubChem CID 130756561) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (2',2'-dimethylspiro[bicyclo[2.2.2]octane-2,3'-cyclopropane]-1'-yl)methanamine.

Molecular Properties

Compound Name(2',2'-dimethylspiro[bicyclo[2.2.2]octane-2,3'-cyclopropane]-1'-yl)methanamine
PubChem CID130756561
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(2',2'-dimethylspiro[bicyclo[2.2.2]octane-2,3'-cyclopropane]-1'-yl)methanamine
SMILESCC1(C)C(CN)C12CC1CCC2CC1
InChIInChI=1S/C13H23N/c1-12(2)11(8-14)13(12)7-9-3-5-10(13)6-4-9/h9-11H,3-8,14H2,1-2H3
InChIKeyZXLZKFKWVKODDZ-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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

[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 54205638
(2R)-2-methylbicyclo[2.2.2]octan-2-ol
CID 13329636
(2,2,6,7-tetramethylspiro[2.5]octan-1-yl)methanamine
CID 130488637
[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanamine
CID 12732836
[2-(trimethylsilylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 106323351
2-(1-aminobutan-2-yl)bicyclo[2.2.2]octan-2-ol
CID 130756587
(1S,2S,4R)-2-methylbicyclo[2.2.1]heptan-2-amine
CID 131148084
(2S)-2-(aminomethyl)bicyclo[2.2.2]octan-2-amine;dichloroplatinum
CID 18652616
(2,2-dimethylspiro[2.5]octan-1-yl)methanamine
CID 83679419
(1R,2S,4S)-2-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 178190368
[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanol
CID 105430374
2-amino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 91184930

Frequently Asked Questions

What is the IUPAC name of (2',2'-dimethylspiro[bicyclo[2.2.2]octane-2,3'-cyclopropane]-1'-yl)methanamine?
The IUPAC name of (2',2'-dimethylspiro[bicyclo[2.2.2]octane-2,3'-cyclopropane]-1'-yl)methanamine (CID 130756561) is (2',2'-dimethylspiro[bicyclo[2.2.2]octane-2,3'-cyclopropane]-1'-yl)methanamine.
What is the SMILES notation for (2',2'-dimethylspiro[bicyclo[2.2.2]octane-2,3'-cyclopropane]-1'-yl)methanamine?
The canonical SMILES for (2',2'-dimethylspiro[bicyclo[2.2.2]octane-2,3'-cyclopropane]-1'-yl)methanamine is CC1(C)C(CN)C12CC1CCC2CC1.
What is the InChIKey of (2',2'-dimethylspiro[bicyclo[2.2.2]octane-2,3'-cyclopropane]-1'-yl)methanamine?
The InChIKey is ZXLZKFKWVKODDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-12(2)11(8-14)13(12)7-9-3-5-10(13)6-4-9/h9-11H,3-8,14H2,1-2H3.
What are the key properties of (2',2'-dimethylspiro[bicyclo[2.2.2]octane-2,3'-cyclopropane]-1'-yl)methanamine?
(2',2'-dimethylspiro[bicyclo[2.2.2]octane-2,3'-cyclopropane]-1'-yl)methanamine has a molecular weight of 193.33 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2',2'-dimethylspiro[bicyclo[2.2.2]octane-2,3'-cyclopropane]-1'-yl)methanamine is sourced from PubChem (CID 130756561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).