2-N,2-N-dimethyl-3-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine

C17H21N3O — CID 104523960

IUPAC2-N,2-N-dimethyl-3-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
SMILESCC1COc2ccccc2C1Nc1cccnc1N(C)C
InChIInChI=1S/C17H21N3O/c1-12-11-21-15-9-5-4-7-13(15)16(12)19-14-8-6-10-18-17(14)20(2)3/h4-10,12,16,19H,11H2,1-3H3
InChIKeyYTPRGTZRCVGUCZ-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.33
Rot. Bonds3

About 2-N,2-N-dimethyl-3-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine

2-N,2-N-dimethyl-3-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine (PubChem CID 104523960) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-3-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-3-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
PubChem CID104523960
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-N,2-N-dimethyl-3-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
SMILESCC1COc2ccccc2C1Nc1cccnc1N(C)C
InChIInChI=1S/C17H21N3O/c1-12-11-21-15-9-5-4-7-13(15)16(12)19-14-8-6-10-18-17(14)20(2)3/h4-10,12,16,19H,11H2,1-3H3
InChIKeyYTPRGTZRCVGUCZ-UHFFFAOYSA-N
XLogP3.33
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N,2-N-dimethyl-3-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine with MolForge

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Related Compounds

3-methyl-N-(2-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104523757
N-(2-bromo-3-chlorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 103478175
2-N,2-N-dimethyl-3-N-(2-methylcyclopentyl)pyridine-2,3-diamine
CID 65044322
3-N-(2,3-dihydro-1H-inden-2-yl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43708000
3-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 64752142
3-N-(3,4-dimethylcyclohexyl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 64733175
N-(4-iodo-2-methylphenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104523967
3-methyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104523755
3-methyl-N-[(1S)-1-pyridin-3-ylethyl]-3,4-dihydro-2H-chromen-4-amine
CID 104524329
2-N,2-N-dimethyl-3-N-(2-methylthiolan-3-yl)pyridine-2,3-diamine
CID 103275729
3-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
CID 104524260
3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 106369720

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-3-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine?
The IUPAC name of 2-N,2-N-dimethyl-3-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine (CID 104523960) is 2-N,2-N-dimethyl-3-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-3-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-3-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine is CC1COc2ccccc2C1Nc1cccnc1N(C)C.
What is the InChIKey of 2-N,2-N-dimethyl-3-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine?
The InChIKey is YTPRGTZRCVGUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-11-21-15-9-5-4-7-13(15)16(12)19-14-8-6-10-18-17(14)20(2)3/h4-10,12,16,19H,11H2,1-3H3.
What are the key properties of 2-N,2-N-dimethyl-3-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine?
2-N,2-N-dimethyl-3-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine has a molecular weight of 283.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-3-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine is sourced from PubChem (CID 104523960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).