(2R,4S)-spiro[bicyclo[2.2.1]heptane-3,2'-bicyclo[2.2.2]octane]-2-amine

C14H23N — CID 164833704

IUPAC(2R,4S)-spiro[bicyclo[2.2.1]heptane-3,2'-bicyclo[2.2.2]octane]-2-amine
SMILESN[C@@H]1C2CC[C@@H](C2)C12CC1CCC2CC1
InChIInChI=1S/C14H23N/c15-13-10-3-6-12(7-10)14(13)8-9-1-4-11(14)5-2-9/h9-13H,1-8,15H2/t9?,10?,11?,12-,13+,14?/m0/s1
InChIKeyKQPCQEGQNFUANH-PXVSSIBLSA-N
MW205.34 g/mol
LogP2.94
Rot. Bonds

About (2R,4S)-spiro[bicyclo[2.2.1]heptane-3,2'-bicyclo[2.2.2]octane]-2-amine

(2R,4S)-spiro[bicyclo[2.2.1]heptane-3,2'-bicyclo[2.2.2]octane]-2-amine (PubChem CID 164833704) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (2R,4S)-spiro[bicyclo[2.2.1]heptane-3,2'-bicyclo[2.2.2]octane]-2-amine.

Molecular Properties

Compound Name(2R,4S)-spiro[bicyclo[2.2.1]heptane-3,2'-bicyclo[2.2.2]octane]-2-amine
PubChem CID164833704
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(2R,4S)-spiro[bicyclo[2.2.1]heptane-3,2'-bicyclo[2.2.2]octane]-2-amine
SMILESN[C@@H]1C2CC[C@@H](C2)C12CC1CCC2CC1
InChIInChI=1S/C14H23N/c15-13-10-3-6-12(7-10)14(13)8-9-1-4-11(14)5-2-9/h9-13H,1-8,15H2/t9?,10?,11?,12-,13+,14?/m0/s1
InChIKeyKQPCQEGQNFUANH-PXVSSIBLSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R,4S)-spiro[bicyclo[2.2.1]heptane-3,2'-bicyclo[2.2.2]octane]-2-amine with MolForge

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Related Compounds

(1S,1'R,2'R,4S)-7,7-dimethyl-2,3'-spirobi[bicyclo[2.2.1]heptane]-2'-amine
CID 164833769
(1S,2S,3'S,4R,4'S)-3',4'-dimethylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine
CID 170439888
(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
(1R,2R,4S)-3-cyclopropyl-3-methylbicyclo[2.2.1]heptan-2-amine
CID 164833763
(1R,2R,4S)-3,3-dimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 164833462
4-[2-(4-hydroxycyclohexyl)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 132988122
(10S)-tetracyclo[6.2.1.12,5.01,6]dodecan-10-ol
CID 117069606
(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
(1R,2R,3S,4S)-3-ethyl-3-methylbicyclo[2.2.1]heptan-2-amine
CID 164833686
(1S,1'S,2'S,3R,4R)-3-amino-2'-methylspiro[bicyclo[2.2.1]heptane-2,4'-cyclopentane]-1'-ol
CID 164833743

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-spiro[bicyclo[2.2.1]heptane-3,2'-bicyclo[2.2.2]octane]-2-amine?
The IUPAC name of (2R,4S)-spiro[bicyclo[2.2.1]heptane-3,2'-bicyclo[2.2.2]octane]-2-amine (CID 164833704) is (2R,4S)-spiro[bicyclo[2.2.1]heptane-3,2'-bicyclo[2.2.2]octane]-2-amine.
What is the SMILES notation for (2R,4S)-spiro[bicyclo[2.2.1]heptane-3,2'-bicyclo[2.2.2]octane]-2-amine?
The canonical SMILES for (2R,4S)-spiro[bicyclo[2.2.1]heptane-3,2'-bicyclo[2.2.2]octane]-2-amine is N[C@@H]1C2CC[C@@H](C2)C12CC1CCC2CC1.
What is the InChIKey of (2R,4S)-spiro[bicyclo[2.2.1]heptane-3,2'-bicyclo[2.2.2]octane]-2-amine?
The InChIKey is KQPCQEGQNFUANH-PXVSSIBLSA-N. The full InChI is InChI=1S/C14H23N/c15-13-10-3-6-12(7-10)14(13)8-9-1-4-11(14)5-2-9/h9-13H,1-8,15H2/t9?,10?,11?,12-,13+,14?/m0/s1.
What are the key properties of (2R,4S)-spiro[bicyclo[2.2.1]heptane-3,2'-bicyclo[2.2.2]octane]-2-amine?
(2R,4S)-spiro[bicyclo[2.2.1]heptane-3,2'-bicyclo[2.2.2]octane]-2-amine has a molecular weight of 205.34 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 (2R,4S)-spiro[bicyclo[2.2.1]heptane-3,2'-bicyclo[2.2.2]octane]-2-amine is sourced from PubChem (CID 164833704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).