[1-(3,4-dihydro-2H-chromen-4-yl)-4-ethylpiperidin-2-yl]methanamine

C17H26N2O — CID 103351884

IUPAC[1-(3,4-dihydro-2H-chromen-4-yl)-4-ethylpiperidin-2-yl]methanamine
SMILESCCC1CCN(C2CCOc3ccccc32)C(CN)C1
InChIInChI=1S/C17H26N2O/c1-2-13-7-9-19(14(11-13)12-18)16-8-10-20-17-6-4-3-5-15(16)17/h3-6,13-14,16H,2,7-12,18H2,1H3
InChIKeyHLORJURYDOTISH-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.96
Rot. Bonds3

About [1-(3,4-dihydro-2H-chromen-4-yl)-4-ethylpiperidin-2-yl]methanamine

[1-(3,4-dihydro-2H-chromen-4-yl)-4-ethylpiperidin-2-yl]methanamine (PubChem CID 103351884) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is [1-(3,4-dihydro-2H-chromen-4-yl)-4-ethylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(3,4-dihydro-2H-chromen-4-yl)-4-ethylpiperidin-2-yl]methanamine
PubChem CID103351884
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name[1-(3,4-dihydro-2H-chromen-4-yl)-4-ethylpiperidin-2-yl]methanamine
SMILESCCC1CCN(C2CCOc3ccccc32)C(CN)C1
InChIInChI=1S/C17H26N2O/c1-2-13-7-9-19(14(11-13)12-18)16-8-10-20-17-6-4-3-5-15(16)17/h3-6,13-14,16H,2,7-12,18H2,1H3
InChIKeyHLORJURYDOTISH-UHFFFAOYSA-N
XLogP2.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-ethylcyclohexyl]methanamine
CID 104772516
ethyl 4-(3,4-dihydro-2H-chromen-4-yl)piperazine-1-carboxylate
CID 110400066
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
1-(3,4-dihydro-2H-chromen-4-yl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 110400097
[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrrolidin-2-yl]methanamine
CID 82623053
(1-cycloheptyl-4-ethylpiperidin-2-yl)methanamine
CID 103351990
[4-ethyl-1-(2-methylcyclopentyl)piperidin-2-yl]methanamine
CID 103351783
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-amine
CID 107893468
[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-ethylpiperidin-2-yl]methanamine
CID 103353139
[2-(aminomethyl)piperidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 63709950

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-2H-chromen-4-yl)-4-ethylpiperidin-2-yl]methanamine?
The IUPAC name of [1-(3,4-dihydro-2H-chromen-4-yl)-4-ethylpiperidin-2-yl]methanamine (CID 103351884) is [1-(3,4-dihydro-2H-chromen-4-yl)-4-ethylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(3,4-dihydro-2H-chromen-4-yl)-4-ethylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-(3,4-dihydro-2H-chromen-4-yl)-4-ethylpiperidin-2-yl]methanamine is CCC1CCN(C2CCOc3ccccc32)C(CN)C1.
What is the InChIKey of [1-(3,4-dihydro-2H-chromen-4-yl)-4-ethylpiperidin-2-yl]methanamine?
The InChIKey is HLORJURYDOTISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-13-7-9-19(14(11-13)12-18)16-8-10-20-17-6-4-3-5-15(16)17/h3-6,13-14,16H,2,7-12,18H2,1H3.
What are the key properties of [1-(3,4-dihydro-2H-chromen-4-yl)-4-ethylpiperidin-2-yl]methanamine?
[1-(3,4-dihydro-2H-chromen-4-yl)-4-ethylpiperidin-2-yl]methanamine has a molecular weight of 274.41 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dihydro-2H-chromen-4-yl)-4-ethylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103351884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).