(6aR)-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine

C9H17NO — CID 158892420

IUPAC(6aR)-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine
SMILESCN(C)C1CO[C@@H]2CCCC12
InChIInChI=1S/C9H17NO/c1-10(2)8-6-11-9-5-3-4-7(8)9/h7-9H,3-6H2,1-2H3/t7?,8?,9-/m1/s1
InChIKeyJEKDQHXDZUUNNK-AMDVSUOASA-N
MW155.24 g/mol
LogP1.12
Rot. Bonds1

About (6aR)-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine

(6aR)-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine (PubChem CID 158892420) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (6aR)-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine.

Molecular Properties

Compound Name(6aR)-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine
PubChem CID158892420
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(6aR)-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine
SMILESCN(C)C1CO[C@@H]2CCCC12
InChIInChI=1S/C9H17NO/c1-10(2)8-6-11-9-5-3-4-7(8)9/h7-9H,3-6H2,1-2H3/t7?,8?,9-/m1/s1
InChIKeyJEKDQHXDZUUNNK-AMDVSUOASA-N
XLogP1.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

(3R,3aR,6aR)-3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 89392959
N-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine
CID 166968771
2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane
CID 59720902
(3S,3aR,9aR)-3-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]furan
CID 101159206
2-oxatricyclo[5.4.0.04,8]undecane
CID 91210751
(3S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-amine
CID 100664845
2-[2-[2-(oxiran-2-yl)cyclopentyl]oxycyclopentyl]oxirane
CID 22634737
trans-(1S,2S)-2-methoxy-N,N-dimethylcyclopentan-1-amine
CID 129113118
N,N,2-trimethylcyclopentan-1-amine
CID 23553747
(3R,4R)-4-N-cyclopropyl-3-N,3-N-dimethyloxolane-3,4-diamine
CID 11147978
(3S,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-carboxylic acid
CID 124748850
(3aR,4R,7aR)-N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-amine
CID 129406942

Frequently Asked Questions

What is the IUPAC name of (6aR)-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine?
The IUPAC name of (6aR)-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine (CID 158892420) is (6aR)-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine.
What is the SMILES notation for (6aR)-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine?
The canonical SMILES for (6aR)-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine is CN(C)C1CO[C@@H]2CCCC12.
What is the InChIKey of (6aR)-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine?
The InChIKey is JEKDQHXDZUUNNK-AMDVSUOASA-N. The full InChI is InChI=1S/C9H17NO/c1-10(2)8-6-11-9-5-3-4-7(8)9/h7-9H,3-6H2,1-2H3/t7?,8?,9-/m1/s1.
What are the key properties of (6aR)-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine?
(6aR)-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine has a molecular weight of 155.24 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-amine is sourced from PubChem (CID 158892420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).