N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

C18H28N2O — CID 106624364

IUPACN-ethyl-3-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCN(CC1CCCNC1)C1c2ccccc2OCC1C
InChIInChI=1S/C18H28N2O/c1-3-20(12-15-7-6-10-19-11-15)18-14(2)13-21-17-9-5-4-8-16(17)18/h4-5,8-9,14-15,18-19H,3,6-7,10-13H2,1-2H3
InChIKeyNUSMOBGOPHLFPH-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.08
Rot. Bonds4

About N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 106624364) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID106624364
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-ethyl-3-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCN(CC1CCCNC1)C1c2ccccc2OCC1C
InChIInChI=1S/C18H28N2O/c1-3-20(12-15-7-6-10-19-11-15)18-14(2)13-21-17-9-5-4-8-16(17)18/h4-5,8-9,14-15,18-19H,3,6-7,10-13H2,1-2H3
InChIKeyNUSMOBGOPHLFPH-UHFFFAOYSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 106624688
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 106638708
N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 106627941
N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)azepan-4-amine
CID 107171928
N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidin-3-amine
CID 113422693
N-ethyl-N-(piperidin-3-ylmethyl)aniline;hydrochloride
CID 119929267
N-(piperidin-3-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 106625395
N-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine
CID 96555707
5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 106624406
N-ethyl-4-(2-methylbutan-2-yl)-N-(piperidin-3-ylmethyl)cyclohexan-1-amine
CID 106624584
2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 104524844
N-(piperidin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 104870097

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (CID 106624364) is N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is CCN(CC1CCCNC1)C1c2ccccc2OCC1C.
What is the InChIKey of N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is NUSMOBGOPHLFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-20(12-15-7-6-10-19-11-15)18-14(2)13-21-17-9-5-4-8-16(17)18/h4-5,8-9,14-15,18-19H,3,6-7,10-13H2,1-2H3.
What are the key properties of N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 288.43 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 106624364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).