N-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine

C17H25NO — CID 64752350

IUPACN-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC1CC(C)CC(NC2CCOc3ccccc32)C1
InChIInChI=1S/C17H25NO/c1-12-9-13(2)11-14(10-12)18-16-7-8-19-17-6-4-3-5-15(16)17/h3-6,12-14,16,18H,7-11H2,1-2H3
InChIKeyMANGRJPPKNRKBI-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.92
Rot. Bonds2

About N-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine

N-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 64752350) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID64752350
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC1CC(C)CC(NC2CCOc3ccccc32)C1
InChIInChI=1S/C17H25NO/c1-12-9-13(2)11-14(10-12)18-16-7-8-19-17-6-4-3-5-15(16)17/h3-6,12-14,16,18H,7-11H2,1-2H3
InChIKeyMANGRJPPKNRKBI-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3,4-dihydro-2H-chromen-4-yl)cyclobutane-1,3-diamine
CID 80560661
N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43723878
N-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 43223515
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 104768322
N-(3,4-dihydro-2H-chromen-4-yl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 43182350
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylcyclobutan-1-amine
CID 113320280
N-(oxepan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 65081994
N-(3-ethylsulfanylcyclopentyl)-3,4-dihydro-2H-chromen-4-amine
CID 103787277
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
(1S,5R)-8-benzyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-azabicyclo[3.2.1]octan-3-amine
CID 99777300
N-(2-methylthiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 102671261
N-(3,4-dihydro-2H-chromen-4-yl)-1-methylsulfonylpiperidin-4-amine
CID 43628795

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine (CID 64752350) is N-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine is CC1CC(C)CC(NC2CCOc3ccccc32)C1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is MANGRJPPKNRKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-9-13(2)11-14(10-12)18-16-7-8-19-17-6-4-3-5-15(16)17/h3-6,12-14,16,18H,7-11H2,1-2H3.
What are the key properties of N-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine?
N-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 259.39 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 64752350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).