2,2-dimethyl-3,4-dihydrochromene-3,8-diamine

C11H16N2O — CID 69260841

IUPAC2,2-dimethyl-3,4-dihydrochromene-3,8-diamine
SMILESCC1(C)Oc2c(N)cccc2CC1N
InChIInChI=1S/C11H16N2O/c1-11(2)9(13)6-7-4-3-5-8(12)10(7)14-11/h3-5,9H,6,12-13H2,1-2H3
InChIKeyMTMZPASKGSKXEI-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.31
Rot. Bonds

About 2,2-dimethyl-3,4-dihydrochromene-3,8-diamine

2,2-dimethyl-3,4-dihydrochromene-3,8-diamine (PubChem CID 69260841) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2,2-dimethyl-3,4-dihydrochromene-3,8-diamine.

Molecular Properties

Compound Name2,2-dimethyl-3,4-dihydrochromene-3,8-diamine
PubChem CID69260841
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2,2-dimethyl-3,4-dihydrochromene-3,8-diamine
SMILESCC1(C)Oc2c(N)cccc2CC1N
InChIInChI=1S/C11H16N2O/c1-11(2)9(13)6-7-4-3-5-8(12)10(7)14-11/h3-5,9H,6,12-13H2,1-2H3
InChIKeyMTMZPASKGSKXEI-UHFFFAOYSA-N
XLogP1.31
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.31
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 2,2-dimethyl-3,4-dihydrochromene-3,8-diamine?
The IUPAC name of 2,2-dimethyl-3,4-dihydrochromene-3,8-diamine (CID 69260841) is 2,2-dimethyl-3,4-dihydrochromene-3,8-diamine.
What is the SMILES notation for 2,2-dimethyl-3,4-dihydrochromene-3,8-diamine?
The canonical SMILES for 2,2-dimethyl-3,4-dihydrochromene-3,8-diamine is CC1(C)Oc2c(N)cccc2CC1N.
What is the InChIKey of 2,2-dimethyl-3,4-dihydrochromene-3,8-diamine?
The InChIKey is MTMZPASKGSKXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-11(2)9(13)6-7-4-3-5-8(12)10(7)14-11/h3-5,9H,6,12-13H2,1-2H3.
What are the key properties of 2,2-dimethyl-3,4-dihydrochromene-3,8-diamine?
2,2-dimethyl-3,4-dihydrochromene-3,8-diamine has a molecular weight of 192.26 g/mol, XLogP of 1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3,4-dihydrochromene-3,8-diamine is sourced from PubChem (CID 69260841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).