(1S,1'R,2'R,4S)-7,7-dimethyl-2,3'-spirobi[bicyclo[2.2.1]heptane]-2'-amine

C15H25N — CID 164833769

IUPAC(1S,1'R,2'R,4S)-7,7-dimethyl-2,3'-spirobi[bicyclo[2.2.1]heptane]-2'-amine
SMILESCC1(C)[C@H]2CC[C@@H]1C1(C2)C2CC[C@H](C2)[C@H]1N
InChIInChI=1S/C15H25N/c1-14(2)11-5-6-12(14)15(8-11)10-4-3-9(7-10)13(15)16/h9-13H,3-8,16H2,1-2H3/t9-,10?,11+,12+,13-,15?/m1/s1
InChIKeyZGYPLFBUVMHQDY-YCBCTKGMSA-N
MW219.37 g/mol
LogP3.19
Rot. Bonds

About (1S,1'R,2'R,4S)-7,7-dimethyl-2,3'-spirobi[bicyclo[2.2.1]heptane]-2'-amine

(1S,1'R,2'R,4S)-7,7-dimethyl-2,3'-spirobi[bicyclo[2.2.1]heptane]-2'-amine (PubChem CID 164833769) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is (1S,1'R,2'R,4S)-7,7-dimethyl-2,3'-spirobi[bicyclo[2.2.1]heptane]-2'-amine.

Molecular Properties

Compound Name(1S,1'R,2'R,4S)-7,7-dimethyl-2,3'-spirobi[bicyclo[2.2.1]heptane]-2'-amine
PubChem CID164833769
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name(1S,1'R,2'R,4S)-7,7-dimethyl-2,3'-spirobi[bicyclo[2.2.1]heptane]-2'-amine
SMILESCC1(C)[C@H]2CC[C@@H]1C1(C2)C2CC[C@H](C2)[C@H]1N
InChIInChI=1S/C15H25N/c1-14(2)11-5-6-12(14)15(8-11)10-4-3-9(7-10)13(15)16/h9-13H,3-8,16H2,1-2H3/t9-,10?,11+,12+,13-,15?/m1/s1
InChIKeyZGYPLFBUVMHQDY-YCBCTKGMSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,1'R,2'R,4S)-7,7-dimethyl-2,3'-spirobi[bicyclo[2.2.1]heptane]-2'-amine with MolForge

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Related Compounds

(2R,4S)-spiro[bicyclo[2.2.1]heptane-3,2'-bicyclo[2.2.2]octane]-2-amine
CID 164833704
(1R,2R,4S)-3,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 164833462
(1R,2R,4S)-3-cyclopropyl-3-methylbicyclo[2.2.1]heptan-2-amine
CID 164833763
(1R,2'R,3S,4S)-3-aminospiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1',2'-diol
CID 167144751
(1S,2'S,3R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1',2'-diol
CID 170440355
(1R,2R,3S,4S)-3-ethyl-3-methylbicyclo[2.2.1]heptan-2-amine
CID 164833686
(1S,2S,3'S,4R,4'S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine
CID 170439888
2-amino-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 91184930
(1S,2S,4S)-2-chloro-2,7,7-trimethylbicyclo[2.2.1]heptane
CID 22215204
(1S,2S,4R)-3,3-diethylbicyclo[2.2.1]heptan-2-amine
CID 164833516
(1S,2S,3R,3'S,4R)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine
CID 164833383
(1S,3R,4R)-2,2,3-trimethylbicyclo[2.2.1]heptane
CID 14744268

Frequently Asked Questions

What is the IUPAC name of (1S,1'R,2'R,4S)-7,7-dimethyl-2,3'-spirobi[bicyclo[2.2.1]heptane]-2'-amine?
The IUPAC name of (1S,1'R,2'R,4S)-7,7-dimethyl-2,3'-spirobi[bicyclo[2.2.1]heptane]-2'-amine (CID 164833769) is (1S,1'R,2'R,4S)-7,7-dimethyl-2,3'-spirobi[bicyclo[2.2.1]heptane]-2'-amine.
What is the SMILES notation for (1S,1'R,2'R,4S)-7,7-dimethyl-2,3'-spirobi[bicyclo[2.2.1]heptane]-2'-amine?
The canonical SMILES for (1S,1'R,2'R,4S)-7,7-dimethyl-2,3'-spirobi[bicyclo[2.2.1]heptane]-2'-amine is CC1(C)[C@H]2CC[C@@H]1C1(C2)C2CC[C@H](C2)[C@H]1N.
What is the InChIKey of (1S,1'R,2'R,4S)-7,7-dimethyl-2,3'-spirobi[bicyclo[2.2.1]heptane]-2'-amine?
The InChIKey is ZGYPLFBUVMHQDY-YCBCTKGMSA-N. The full InChI is InChI=1S/C15H25N/c1-14(2)11-5-6-12(14)15(8-11)10-4-3-9(7-10)13(15)16/h9-13H,3-8,16H2,1-2H3/t9-,10?,11+,12+,13-,15?/m1/s1.
What are the key properties of (1S,1'R,2'R,4S)-7,7-dimethyl-2,3'-spirobi[bicyclo[2.2.1]heptane]-2'-amine?
(1S,1'R,2'R,4S)-7,7-dimethyl-2,3'-spirobi[bicyclo[2.2.1]heptane]-2'-amine has a molecular weight of 219.37 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,1'R,2'R,4S)-7,7-dimethyl-2,3'-spirobi[bicyclo[2.2.1]heptane]-2'-amine is sourced from PubChem (CID 164833769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).