4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)oxan-4-amine

C14H17N3O3 — CID 115292241

IUPAC4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)oxan-4-amine
SMILESNC1(c2nc3cc4c(cc3[nH]2)OCCO4)CCOCC1
InChIInChI=1S/C14H17N3O3/c15-14(1-3-18-4-2-14)13-16-9-7-11-12(8-10(9)17-13)20-6-5-19-11/h7-8H,1-6,15H2,(H,16,17)
InChIKeyNATYZDBXXNOJMC-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.30
Rot. Bonds1

About 4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)oxan-4-amine

4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)oxan-4-amine (PubChem CID 115292241) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)oxan-4-amine.

Molecular Properties

Compound Name4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)oxan-4-amine
PubChem CID115292241
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)oxan-4-amine
SMILESNC1(c2nc3cc4c(cc3[nH]2)OCCO4)CCOCC1
InChIInChI=1S/C14H17N3O3/c15-14(1-3-18-4-2-14)13-16-9-7-11-12(8-10(9)17-13)20-6-5-19-11/h7-8H,1-6,15H2,(H,16,17)
InChIKeyNATYZDBXXNOJMC-UHFFFAOYSA-N
XLogP1.30
TPSA82.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)oxan-4-amine with MolForge

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Related Compounds

2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylcyclopentan-1-amine
CID 82763817
6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethanamine;dihydrochloride
CID 167719364
3-(6-methoxy-1H-benzimidazol-2-yl)oxolan-3-amine
CID 65017552
2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropan-1-amine
CID 84632810
4-(4-fluoro-1H-benzimidazol-2-yl)oxan-4-amine
CID 113280276
2-(2,2,3,3-tetramethylcyclopropyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 66477298
2-methyl-1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazole
CID 18525449
1-(5,6-dichloro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine
CID 82001899
2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
CID 79797944
2-pyrimidin-5-yl-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 102922100
1-(6-bromo-1H-benzimidazol-2-yl)cyclobutan-1-amine
CID 81161162
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153941

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)oxan-4-amine?
The IUPAC name of 4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)oxan-4-amine (CID 115292241) is 4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)oxan-4-amine.
What is the SMILES notation for 4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)oxan-4-amine?
The canonical SMILES for 4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)oxan-4-amine is NC1(c2nc3cc4c(cc3[nH]2)OCCO4)CCOCC1.
What is the InChIKey of 4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)oxan-4-amine?
The InChIKey is NATYZDBXXNOJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c15-14(1-3-18-4-2-14)13-16-9-7-11-12(8-10(9)17-13)20-6-5-19-11/h7-8H,1-6,15H2,(H,16,17).
What are the key properties of 4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)oxan-4-amine?
4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)oxan-4-amine has a molecular weight of 275.31 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)oxan-4-amine is sourced from PubChem (CID 115292241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).