N-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine

C17H25NO — CID 43223515

IUPACN-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC1CCCC(C)C1NC1CCOc2ccccc21
InChIInChI=1S/C17H25NO/c1-12-6-5-7-13(2)17(12)18-15-10-11-19-16-9-4-3-8-14(15)16/h3-4,8-9,12-13,15,17-18H,5-7,10-11H2,1-2H3
InChIKeyGHXVJLJAGPWIML-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.92
Rot. Bonds2

About N-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine

N-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43223515) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID43223515
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC1CCCC(C)C1NC1CCOc2ccccc21
InChIInChI=1S/C17H25NO/c1-12-6-5-7-13(2)17(12)18-15-10-11-19-16-9-4-3-8-14(15)16/h3-4,8-9,12-13,15,17-18H,5-7,10-11H2,1-2H3
InChIKeyGHXVJLJAGPWIML-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

N-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 64752350
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1-benzofuran-3-amine
CID 64763118
N-cyclohex-2-en-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 103903513
trans-(1R,2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexan-1-ol
CID 104926539
N-(2-methylthiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 102671261
N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43723878
(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine
CID 163411426
N-(oxepan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 65081994
1-N-(3,4-dihydro-2H-chromen-4-yl)cyclobutane-1,3-diamine
CID 80560661
N-(3,4-dihydro-2H-chromen-4-yl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 43182350
N-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide
CID 16559700

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine (CID 43223515) is N-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine is CC1CCCC(C)C1NC1CCOc2ccccc21.
What is the InChIKey of N-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is GHXVJLJAGPWIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-6-5-7-13(2)17(12)18-15-10-11-19-16-9-4-3-8-14(15)16/h3-4,8-9,12-13,15,17-18H,5-7,10-11H2,1-2H3.
What are the key properties of N-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine?
N-(2,6-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-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43223515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).