4-N,4-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine

C11H16N2O — CID 71756739

IUPAC4-N,4-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine
SMILESCN(C)C1CCOc2c(N)cccc21
InChIInChI=1S/C11H16N2O/c1-13(2)10-6-7-14-11-8(10)4-3-5-9(11)12/h3-5,10H,6-7,12H2,1-2H3
InChIKeyPZVJEUWCUYNUOU-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.65
Rot. Bonds1

About 4-N,4-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine

4-N,4-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine (PubChem CID 71756739) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine
PubChem CID71756739
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-N,4-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine
SMILESCN(C)C1CCOc2c(N)cccc21
InChIInChI=1S/C11H16N2O/c1-13(2)10-6-7-14-11-8(10)4-3-5-9(11)12/h3-5,10H,6-7,12H2,1-2H3
InChIKeyPZVJEUWCUYNUOU-UHFFFAOYSA-N
XLogP1.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
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 4-N,4-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine?
The IUPAC name of 4-N,4-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine (CID 71756739) is 4-N,4-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine is CN(C)C1CCOc2c(N)cccc21.
What is the InChIKey of 4-N,4-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine?
The InChIKey is PZVJEUWCUYNUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-13(2)10-6-7-14-11-8(10)4-3-5-9(11)12/h3-5,10H,6-7,12H2,1-2H3.
What are the key properties of 4-N,4-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine?
4-N,4-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine has a molecular weight of 192.26 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine is sourced from PubChem (CID 71756739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).