6,8-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine

C16H25NO — CID 82461532

IUPAC6,8-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cc(C)c2c(c1)C(NCCC(C)C)CCO2
InChIInChI=1S/C16H25NO/c1-11(2)5-7-17-15-6-8-18-16-13(4)9-12(3)10-14(15)16/h9-11,15,17H,5-8H2,1-4H3
InChIKeyXWQOEHQGPRUJAL-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.76
Rot. Bonds4

About 6,8-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine

6,8-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82461532) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 6,8-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6,8-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID82461532
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name6,8-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cc(C)c2c(c1)C(NCCC(C)C)CCO2
InChIInChI=1S/C16H25NO/c1-11(2)5-7-17-15-6-8-18-16-13(4)9-12(3)10-14(15)16/h9-11,15,17H,5-8H2,1-4H3
InChIKeyXWQOEHQGPRUJAL-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,8-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6,8-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine (CID 82461532) is 6,8-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6,8-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6,8-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine is Cc1cc(C)c2c(c1)C(NCCC(C)C)CCO2.
What is the InChIKey of 6,8-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is XWQOEHQGPRUJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11(2)5-7-17-15-6-8-18-16-13(4)9-12(3)10-14(15)16/h9-11,15,17H,5-8H2,1-4H3.
What are the key properties of 6,8-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine?
6,8-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 247.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82461532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).