N-[3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine

C18H25NO2 — CID 102647609

IUPACN-[3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C1CCOc2ccccc21
InChIInChI=1S/C18H25NO2/c1-2-11-19-18(17-9-5-6-12-20-17)15-10-13-21-16-8-4-3-7-14(15)16/h3-4,7-9,15,18-19H,2,5-6,10-13H2,1H3
InChIKeyWGKZAYRFDYCBRP-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.62
Rot. Bonds5

About N-[3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine

N-[3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine (PubChem CID 102647609) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
PubChem CID102647609
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C1CCOc2ccccc21
InChIInChI=1S/C18H25NO2/c1-2-11-19-18(17-9-5-6-12-20-17)15-10-13-21-16-8-4-3-7-14(15)16/h3-4,7-9,15,18-19H,2,5-6,10-13H2,1H3
InChIKeyWGKZAYRFDYCBRP-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102652109
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647507
N-[3,4-dihydro-2H-chromen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647613
1-(3,4-dihydro-2H-chromen-4-yl)-N-propylheptan-1-amine
CID 65409887
1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-1-amine
CID 65409497
N-[3,4-dihydro-2H-chromen-4-yl(oxan-3-yl)methyl]propan-1-amine
CID 107136469
N-[1-(3,4-dihydro-2H-chromen-4-yl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83178375
N-[3,4-dihydro-2H-pyran-6-yl-(2-iodophenyl)methyl]propan-1-amine
CID 102649008
N-[(4-tert-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647597
1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine
CID 113451314
N-[2-adamantyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102648915
N-[1-(3,4-dihydro-2H-chromen-4-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79826943

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
The IUPAC name of N-[3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine (CID 102647609) is N-[3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
The canonical SMILES for N-[3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine is CCCNC(C1=CCCCO1)C1CCOc2ccccc21.
What is the InChIKey of N-[3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
The InChIKey is WGKZAYRFDYCBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-11-19-18(17-9-5-6-12-20-17)15-10-13-21-16-8-4-3-7-14(15)16/h3-4,7-9,15,18-19H,2,5-6,10-13H2,1H3.
What are the key properties of N-[3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
N-[3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine has a molecular weight of 287.40 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine is sourced from PubChem (CID 102647609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).