3,4-dihydro-2H-chromene-4,6-diamine

C9H12N2O — CID 55293723

IUPAC3,4-dihydro-2H-chromene-4,6-diamine
SMILESNc1ccc2c(c1)C(N)CCO2
InChIInChI=1S/C9H12N2O/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8H,3-4,10-11H2
InChIKeyUPSPUUZWHJHMIM-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.05
Rot. Bonds

About 3,4-dihydro-2H-chromene-4,6-diamine

3,4-dihydro-2H-chromene-4,6-diamine (PubChem CID 55293723) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromene-4,6-diamine.

Molecular Properties

Compound Name3,4-dihydro-2H-chromene-4,6-diamine
PubChem CID55293723
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3,4-dihydro-2H-chromene-4,6-diamine
SMILESNc1ccc2c(c1)C(N)CCO2
InChIInChI=1S/C9H12N2O/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8H,3-4,10-11H2
InChIKeyUPSPUUZWHJHMIM-UHFFFAOYSA-N
XLogP1.05
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromene-4,6-diamine?
The IUPAC name of 3,4-dihydro-2H-chromene-4,6-diamine (CID 55293723) is 3,4-dihydro-2H-chromene-4,6-diamine.
What is the SMILES notation for 3,4-dihydro-2H-chromene-4,6-diamine?
The canonical SMILES for 3,4-dihydro-2H-chromene-4,6-diamine is Nc1ccc2c(c1)C(N)CCO2.
What is the InChIKey of 3,4-dihydro-2H-chromene-4,6-diamine?
The InChIKey is UPSPUUZWHJHMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8H,3-4,10-11H2.
What are the key properties of 3,4-dihydro-2H-chromene-4,6-diamine?
3,4-dihydro-2H-chromene-4,6-diamine has a molecular weight of 164.21 g/mol, XLogP of 1.05, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromene-4,6-diamine is sourced from PubChem (CID 55293723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).