N-(cyclohexylmethyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine

C17H25NO — CID 134794851

IUPACN-(cyclohexylmethyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCN(CC1CCCCC1)C1CCOc2ccccc21
InChIInChI=1S/C17H25NO/c1-18(13-14-7-3-2-4-8-14)16-11-12-19-17-10-6-5-9-15(16)17/h5-6,9-10,14,16H,2-4,7-8,11-13H2,1H3
InChIKeyAMEGHMAKACHOOZ-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.02
Rot. Bonds3

About N-(cyclohexylmethyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine

N-(cyclohexylmethyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 134794851) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID134794851
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-(cyclohexylmethyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCN(CC1CCCCC1)C1CCOc2ccccc21
InChIInChI=1S/C17H25NO/c1-18(13-14-7-3-2-4-8-14)16-11-12-19-17-10-6-5-9-15(16)17/h5-6,9-10,14,16H,2-4,7-8,11-13H2,1H3
InChIKeyAMEGHMAKACHOOZ-UHFFFAOYSA-N
XLogP4.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 106623158
N-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 134791910
N-methyl-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 134793852
N-ethyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 106624688
2-[cyclohexylmethyl(methyl)amino]-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
CID 112814762
N-(piperidin-4-ylmethyl)-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 79698911
1-cyclohexyl-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol
CID 104769305
N-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylbenzenesulfonamide
CID 110751242
1-cyclobutyl-3-(3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-2-amine
CID 103169448
N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-N-methylacetamide
CID 134794474
1-(3,4-dihydro-2H-chromen-4-yl)-1-methyl-3-propan-2-ylurea
CID 110750876
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(cyclohexylmethyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 134794851) is N-(cyclohexylmethyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(cyclohexylmethyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine is CN(CC1CCCCC1)C1CCOc2ccccc21.
What is the InChIKey of N-(cyclohexylmethyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is AMEGHMAKACHOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-18(13-14-7-3-2-4-8-14)16-11-12-19-17-10-6-5-9-15(16)17/h5-6,9-10,14,16H,2-4,7-8,11-13H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
N-(cyclohexylmethyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 259.39 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 134794851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).