3-[(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]propan-1-amine

C10H20N2O — CID 129494379

IUPAC3-[(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]propan-1-amine
SMILESNCCCN1CC[C@H]2COC[C@H]2C1
InChIInChI=1S/C10H20N2O/c11-3-1-4-12-5-2-9-7-13-8-10(9)6-12/h9-10H,1-8,11H2/t9-,10+/m0/s1
InChIKeyBVFZHUOHLIMXPE-VHSXEESVSA-N
MW184.28 g/mol
LogP0.30
Rot. Bonds3

About 3-[(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]propan-1-amine

3-[(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]propan-1-amine (PubChem CID 129494379) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-[(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]propan-1-amine
PubChem CID129494379
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-[(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]propan-1-amine
SMILESNCCCN1CC[C@H]2COC[C@H]2C1
InChIInChI=1S/C10H20N2O/c11-3-1-4-12-5-2-9-7-13-8-10(9)6-12/h9-10H,1-8,11H2/t9-,10+/m0/s1
InChIKeyBVFZHUOHLIMXPE-VHSXEESVSA-N
XLogP0.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]propan-1-amine with MolForge

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Related Compounds

Octahydrofuro(3,4-c)pyridine
CID 19825700
Octahydropyrano[3,4-c]pyrrole
CID 68539279
3a-methyl-3,4,5,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
CID 18685062
7-Methyl-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrole
CID 58271274
5-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
CID 59418225
5-ethyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
CID 68083950
(3aS,7aS)-2-methyl-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-amine
CID 69172575
Octahydrofuro[3,4-c]pyridine hydrochloride
CID 72698740
5-(2-methylpropyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
CID 91089433
5-(2,2-dimethylpropyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
CID 118901741
rac-(3aR,7aS)-octahydropyrano[3,4-c]pyrrole
CID 124510119
(7aR)-1,2,3,3a,4,6,7,7a-octahydropyrano[3,4-c]pyrrole
CID 143715126

Frequently Asked Questions

What is the IUPAC name of 3-[(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]propan-1-amine?
The IUPAC name of 3-[(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]propan-1-amine (CID 129494379) is 3-[(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]propan-1-amine.
What is the SMILES notation for 3-[(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]propan-1-amine?
The canonical SMILES for 3-[(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]propan-1-amine is NCCCN1CC[C@H]2COC[C@H]2C1.
What is the InChIKey of 3-[(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]propan-1-amine?
The InChIKey is BVFZHUOHLIMXPE-VHSXEESVSA-N. The full InChI is InChI=1S/C10H20N2O/c11-3-1-4-12-5-2-9-7-13-8-10(9)6-12/h9-10H,1-8,11H2/t9-,10+/m0/s1.
What are the key properties of 3-[(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]propan-1-amine?
3-[(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]propan-1-amine has a molecular weight of 184.28 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]propan-1-amine is sourced from PubChem (CID 129494379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).