[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl]methanamine

C8H15NO — CID 172551855

IUPAC[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl]methanamine
SMILESNCC1CC[C@@H]2CCO[C@@H]12
InChIInChI=1S/C8H15NO/c9-5-7-2-1-6-3-4-10-8(6)7/h6-8H,1-5,9H2/t6-,7?,8-/m1/s1
InChIKeyMKFGBOFKSBPJJU-OECOWPMFSA-N
MW141.21 g/mol
LogP0.76
Rot. Bonds1

About [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl]methanamine

[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl]methanamine (PubChem CID 172551855) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl]methanamine.

Molecular Properties

Compound Name[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl]methanamine
PubChem CID172551855
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl]methanamine
SMILESNCC1CC[C@@H]2CCO[C@@H]12
InChIInChI=1S/C8H15NO/c9-5-7-2-1-6-3-4-10-8(6)7/h6-8H,1-5,9H2/t6-,7?,8-/m1/s1
InChIKeyMKFGBOFKSBPJJU-OECOWPMFSA-N
XLogP0.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl]methanamine with MolForge

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Related Compounds

[2-(4-tert-butylcyclohexyl)oxolan-3-yl]methanamine
CID 104575993
[2-(oxolan-2-yl)oxolan-3-yl]methanamine
CID 82837467
2-(oxan-4-yl)oxolan-3-amine
CID 79365317
(6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 163594028
[(1R,5R,6S)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine
CID 124555816
[(1R,5R,6R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine
CID 96848250
[(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine
CID 59234196
[2-(aminomethyl)cyclobutyl]methanamine;hydrochloride
CID 175788563
[2-(3,5-dimethylcyclohex-3-en-1-yl)oxan-3-yl]methanamine
CID 103277815
N-[(2-cyclopentyloxolan-3-yl)methyl]-2-methylpropan-2-amine
CID 79367525
1-(2-cyclopropyloxan-3-yl)-N-methylmethanamine
CID 79365541
3-(chloromethyl)-2-(oxolan-3-yl)oxolane
CID 79373967

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl]methanamine?
The IUPAC name of [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl]methanamine (CID 172551855) is [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl]methanamine.
What is the SMILES notation for [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl]methanamine?
The canonical SMILES for [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl]methanamine is NCC1CC[C@@H]2CCO[C@@H]12.
What is the InChIKey of [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl]methanamine?
The InChIKey is MKFGBOFKSBPJJU-OECOWPMFSA-N. The full InChI is InChI=1S/C8H15NO/c9-5-7-2-1-6-3-4-10-8(6)7/h6-8H,1-5,9H2/t6-,7?,8-/m1/s1.
What are the key properties of [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl]methanamine?
[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl]methanamine has a molecular weight of 141.21 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl]methanamine is sourced from PubChem (CID 172551855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).