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

C7H14N2O — CID 129410905

IUPAC(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-amine
SMILESNN1CC[C@H]2COC[C@H]2C1
InChIInChI=1S/C7H14N2O/c8-9-2-1-6-4-10-5-7(6)3-9/h6-7H,1-5,8H2/t6-,7+/m0/s1
InChIKeyWJNWQEVRNLNZKD-NKWVEPMBSA-N
MW142.20 g/mol
LogP-0.17
Rot. Bonds

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

(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-amine (PubChem CID 129410905) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-amine.

Molecular Properties

Compound Name(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-amine
PubChem CID129410905
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-amine
SMILESNN1CC[C@H]2COC[C@H]2C1
InChIInChI=1S/C7H14N2O/c8-9-2-1-6-4-10-5-7(6)3-9/h6-7H,1-5,8H2/t6-,7+/m0/s1
InChIKeyWJNWQEVRNLNZKD-NKWVEPMBSA-N
XLogP-0.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-amine?
The IUPAC name of (3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-amine (CID 129410905) is (3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-amine.
What is the SMILES notation for (3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-amine?
The canonical SMILES for (3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-amine is NN1CC[C@H]2COC[C@H]2C1.
What is the InChIKey of (3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-amine?
The InChIKey is WJNWQEVRNLNZKD-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H14N2O/c8-9-2-1-6-4-10-5-7(6)3-9/h6-7H,1-5,8H2/t6-,7+/m0/s1.
What are the key properties of (3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-amine?
(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-amine has a molecular weight of 142.20 g/mol, XLogP of -0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-amine is sourced from PubChem (CID 129410905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).