1-[3-(dimethylamino)propyl]-8-(methylaminomethyl)-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine

C17H27N5O — CID 10087204

IUPAC1-[3-(dimethylamino)propyl]-8-(methylaminomethyl)-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine
SMILESCNCC1COc2ccc3nc(N)n(CCCN(C)C)c3c2C1
InChIInChI=1S/C17H27N5O/c1-19-10-12-9-13-15(23-11-12)6-5-14-16(13)22(17(18)20-14)8-4-7-21(2)3/h5-6,12,19H,4,7-11H2,1-3H3,(H2,18,20)
InChIKeyDSQFFBBBACNYKH-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.34
Rot. Bonds6

About 1-[3-(dimethylamino)propyl]-8-(methylaminomethyl)-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine

1-[3-(dimethylamino)propyl]-8-(methylaminomethyl)-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine (PubChem CID 10087204) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-8-(methylaminomethyl)-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-8-(methylaminomethyl)-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine
PubChem CID10087204
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name1-[3-(dimethylamino)propyl]-8-(methylaminomethyl)-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine
SMILESCNCC1COc2ccc3nc(N)n(CCCN(C)C)c3c2C1
InChIInChI=1S/C17H27N5O/c1-19-10-12-9-13-15(23-11-12)6-5-14-16(13)22(17(18)20-14)8-4-7-21(2)3/h5-6,12,19H,4,7-11H2,1-3H3,(H2,18,20)
InChIKeyDSQFFBBBACNYKH-UHFFFAOYSA-N
XLogP1.34
TPSA68.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-8-(methylaminomethyl)-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine?
The IUPAC name of 1-[3-(dimethylamino)propyl]-8-(methylaminomethyl)-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine (CID 10087204) is 1-[3-(dimethylamino)propyl]-8-(methylaminomethyl)-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-8-(methylaminomethyl)-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-8-(methylaminomethyl)-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine is CNCC1COc2ccc3nc(N)n(CCCN(C)C)c3c2C1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-8-(methylaminomethyl)-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine?
The InChIKey is DSQFFBBBACNYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-19-10-12-9-13-15(23-11-12)6-5-14-16(13)22(17(18)20-14)8-4-7-21(2)3/h5-6,12,19H,4,7-11H2,1-3H3,(H2,18,20).
What are the key properties of 1-[3-(dimethylamino)propyl]-8-(methylaminomethyl)-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine?
1-[3-(dimethylamino)propyl]-8-(methylaminomethyl)-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine has a molecular weight of 317.44 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-8-(methylaminomethyl)-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine is sourced from PubChem (CID 10087204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).