(3aS,6aR)-4-methyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazol-2-amine

C6H11N3O — CID 55289013

IUPAC(3aS,6aR)-4-methyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazol-2-amine
SMILESCC1OC[C@@H]2NC(N)=N[C@H]12
InChIInChI=1S/C6H11N3O/c1-3-5-4(2-10-3)8-6(7)9-5/h3-5H,2H2,1H3,(H3,7,8,9)/t3?,4-,5+/m0/s1
InChIKeyXDVGDXQHWBQGMK-ROTTUQNMSA-N
MW141.17 g/mol
LogP-0.94
Rot. Bonds

About (3aS,6aR)-4-methyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazol-2-amine

(3aS,6aR)-4-methyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazol-2-amine (PubChem CID 55289013) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is (3aS,6aR)-4-methyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazol-2-amine.

Molecular Properties

Compound Name(3aS,6aR)-4-methyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazol-2-amine
PubChem CID55289013
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name(3aS,6aR)-4-methyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazol-2-amine
SMILESCC1OC[C@@H]2NC(N)=N[C@H]12
InChIInChI=1S/C6H11N3O/c1-3-5-4(2-10-3)8-6(7)9-5/h3-5H,2H2,1H3,(H3,7,8,9)/t3?,4-,5+/m0/s1
InChIKeyXDVGDXQHWBQGMK-ROTTUQNMSA-N
XLogP-0.94
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-4-methyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazol-2-amine?
The IUPAC name of (3aS,6aR)-4-methyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazol-2-amine (CID 55289013) is (3aS,6aR)-4-methyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazol-2-amine.
What is the SMILES notation for (3aS,6aR)-4-methyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazol-2-amine?
The canonical SMILES for (3aS,6aR)-4-methyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazol-2-amine is CC1OC[C@@H]2NC(N)=N[C@H]12.
What is the InChIKey of (3aS,6aR)-4-methyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazol-2-amine?
The InChIKey is XDVGDXQHWBQGMK-ROTTUQNMSA-N. The full InChI is InChI=1S/C6H11N3O/c1-3-5-4(2-10-3)8-6(7)9-5/h3-5H,2H2,1H3,(H3,7,8,9)/t3?,4-,5+/m0/s1.
What are the key properties of (3aS,6aR)-4-methyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazol-2-amine?
(3aS,6aR)-4-methyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazol-2-amine has a molecular weight of 141.17 g/mol, XLogP of -0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-4-methyl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazol-2-amine is sourced from PubChem (CID 55289013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).