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

C14H19N3O2 — CID 104683311

IUPAC4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pentan-1-amine
SMILESCC(CCCN)c1nc2cc3c(cc2[nH]1)OCCO3
InChIInChI=1S/C14H19N3O2/c1-9(3-2-4-15)14-16-10-7-12-13(8-11(10)17-14)19-6-5-18-12/h7-9H,2-6,15H2,1H3,(H,16,17)
InChIKeyKAALFBGGCOOINH-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.18
Rot. Bonds4

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

4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pentan-1-amine (PubChem CID 104683311) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pentan-1-amine.

Molecular Properties

Compound Name4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pentan-1-amine
PubChem CID104683311
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pentan-1-amine
SMILESCC(CCCN)c1nc2cc3c(cc2[nH]1)OCCO3
InChIInChI=1S/C14H19N3O2/c1-9(3-2-4-15)14-16-10-7-12-13(8-11(10)17-14)19-6-5-18-12/h7-9H,2-6,15H2,1H3,(H,16,17)
InChIKeyKAALFBGGCOOINH-UHFFFAOYSA-N
XLogP2.18
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-3-methylbutan-1-amine
CID 65220910
1-(1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazol-2-yl)ethanamine
CID 43114491
2-(1-cyclopropylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 83154943
3-methyl-1-(1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazol-2-yl)butan-1-amine
CID 43114498
(1S)-1-(1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazol-2-yl)ethanol
CID 66264284
2-(1-chloroethyl)-1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazole
CID 43115281
2-(3-methylbutyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 43349056
2-(1-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 82336593
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropan-1-amine
CID 81073274
3-(5,6-difluoro-1H-benzimidazol-2-yl)butan-1-amine
CID 80539436
2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropan-1-amine
CID 84632810
6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethanamine;dihydrochloride
CID 167719364

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pentan-1-amine?
The IUPAC name of 4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pentan-1-amine (CID 104683311) is 4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pentan-1-amine.
What is the SMILES notation for 4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pentan-1-amine?
The canonical SMILES for 4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pentan-1-amine is CC(CCCN)c1nc2cc3c(cc2[nH]1)OCCO3.
What is the InChIKey of 4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pentan-1-amine?
The InChIKey is KAALFBGGCOOINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(3-2-4-15)14-16-10-7-12-13(8-11(10)17-14)19-6-5-18-12/h7-9H,2-6,15H2,1H3,(H,16,17).
What are the key properties of 4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pentan-1-amine?
4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pentan-1-amine has a molecular weight of 261.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 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)pentan-1-amine is sourced from PubChem (CID 104683311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).