[(1R,3R)-3-[(6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-2,2-dimethylcyclopropyl]methanamine

C13H23NO — CID 178197076

IUPAC[(1R,3R)-3-[(6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-2,2-dimethylcyclopropyl]methanamine
SMILESCC1(C)[C@H](CN)[C@H]1C12CCC[C@H]1OCC2
InChIInChI=1S/C13H23NO/c1-12(2)9(8-14)11(12)13-5-3-4-10(13)15-7-6-13/h9-11H,3-8,14H2,1-2H3/t9-,10-,11-,13?/m1/s1
InChIKeyXRIUFXRBNNQGDX-RUPPFBPSSA-N
MW209.33 g/mol
LogP2.18
Rot. Bonds2

About [(1R,3R)-3-[(6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-2,2-dimethylcyclopropyl]methanamine

[(1R,3R)-3-[(6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-2,2-dimethylcyclopropyl]methanamine (PubChem CID 178197076) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is [(1R,3R)-3-[(6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-2,2-dimethylcyclopropyl]methanamine.

Molecular Properties

Compound Name[(1R,3R)-3-[(6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-2,2-dimethylcyclopropyl]methanamine
PubChem CID178197076
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name[(1R,3R)-3-[(6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-2,2-dimethylcyclopropyl]methanamine
SMILESCC1(C)[C@H](CN)[C@H]1C12CCC[C@H]1OCC2
InChIInChI=1S/C13H23NO/c1-12(2)9(8-14)11(12)13-5-3-4-10(13)15-7-6-13/h9-11H,3-8,14H2,1-2H3/t9-,10-,11-,13?/m1/s1
InChIKeyXRIUFXRBNNQGDX-RUPPFBPSSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ylmethanamine
CID 126827532
[(1S,3R)-3-(1-ethylcyclobutyl)-2,2-dimethylcyclopropyl]methanamine
CID 178199763
3a-tert-butyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 167376284
(3aR,6aS)-3a-(bromomethyl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 125455786
(3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl)methanol
CID 130151002
[2-methyl-2-(oxan-2-yl)-1,3-dioxolan-4-yl]methanamine
CID 117169010
[4-(oxolan-2-yl)oxan-4-yl]methanamine
CID 165486804
2-(1-methylcyclohexyl)oxolane
CID 23594551
(2-methoxyspiro[2.4]heptan-1-yl)methanamine
CID 102547918
6-(iodomethyl)-2-methyl-2-(oxolan-2-yl)oxane
CID 130583331
(5,5-dimethylcyclononyl)methanamine
CID 129138997
(2,6-dimethyl-1,7-dioxaspiro[4.4]nonan-2-yl)methanamine
CID 130583877

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-[(6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-2,2-dimethylcyclopropyl]methanamine?
The IUPAC name of [(1R,3R)-3-[(6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-2,2-dimethylcyclopropyl]methanamine (CID 178197076) is [(1R,3R)-3-[(6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-2,2-dimethylcyclopropyl]methanamine.
What is the SMILES notation for [(1R,3R)-3-[(6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-2,2-dimethylcyclopropyl]methanamine?
The canonical SMILES for [(1R,3R)-3-[(6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-2,2-dimethylcyclopropyl]methanamine is CC1(C)[C@H](CN)[C@H]1C12CCC[C@H]1OCC2.
What is the InChIKey of [(1R,3R)-3-[(6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-2,2-dimethylcyclopropyl]methanamine?
The InChIKey is XRIUFXRBNNQGDX-RUPPFBPSSA-N. The full InChI is InChI=1S/C13H23NO/c1-12(2)9(8-14)11(12)13-5-3-4-10(13)15-7-6-13/h9-11H,3-8,14H2,1-2H3/t9-,10-,11-,13?/m1/s1.
What are the key properties of [(1R,3R)-3-[(6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-2,2-dimethylcyclopropyl]methanamine?
[(1R,3R)-3-[(6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-2,2-dimethylcyclopropyl]methanamine has a molecular weight of 209.33 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-[(6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-2,2-dimethylcyclopropyl]methanamine is sourced from PubChem (CID 178197076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).