1-(3,4-dihydro-2H-chromen-6-yl)-N-ethyloctan-1-amine

C19H31NO — CID 63503929

IUPAC1-(3,4-dihydro-2H-chromen-6-yl)-N-ethyloctan-1-amine
SMILESCCCCCCCC(NCC)c1ccc2c(c1)CCCO2
InChIInChI=1S/C19H31NO/c1-3-5-6-7-8-11-18(20-4-2)16-12-13-19-17(15-16)10-9-14-21-19/h12-13,15,18,20H,3-11,14H2,1-2H3
InChIKeyUGTDRGMYVOSRKN-UHFFFAOYSA-N
MW289.46 g/mol
LogP5.02
Rot. Bonds9

About 1-(3,4-dihydro-2H-chromen-6-yl)-N-ethyloctan-1-amine

1-(3,4-dihydro-2H-chromen-6-yl)-N-ethyloctan-1-amine (PubChem CID 63503929) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-yl)-N-ethyloctan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-yl)-N-ethyloctan-1-amine
PubChem CID63503929
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-(3,4-dihydro-2H-chromen-6-yl)-N-ethyloctan-1-amine
SMILESCCCCCCCC(NCC)c1ccc2c(c1)CCCO2
InChIInChI=1S/C19H31NO/c1-3-5-6-7-8-11-18(20-4-2)16-12-13-19-17(15-16)10-9-14-21-19/h12-13,15,18,20H,3-11,14H2,1-2H3
InChIKeyUGTDRGMYVOSRKN-UHFFFAOYSA-N
XLogP5.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dihydro-2H-chromen-6-yl)-N-ethylpentan-1-amine
CID 61026967
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylheptan-1-amine
CID 114752389
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyloctan-1-amine
CID 43490459
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylnonan-1-amine
CID 65450080
1-(3,4-dihydro-2H-chromen-6-yl)octan-1-ol
CID 55199817
1-(2,3-dihydro-1H-inden-5-yl)-N-ethylheptan-1-amine
CID 114752406
1-(2,3-dihydro-1-benzofuran-5-yl)decylhydrazine
CID 105293354
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-4-methylpentan-1-amine
CID 43489857
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 113425129
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylhexan-1-amine
CID 115845362
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylhexan-1-amine
CID 55145403
1-(3,4-dihydro-2H-chromen-6-yl)-N,N'-dimethylpropane-1,3-diamine
CID 116948587

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-N-ethyloctan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-N-ethyloctan-1-amine (CID 63503929) is 1-(3,4-dihydro-2H-chromen-6-yl)-N-ethyloctan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)-N-ethyloctan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)-N-ethyloctan-1-amine is CCCCCCCC(NCC)c1ccc2c(c1)CCCO2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)-N-ethyloctan-1-amine?
The InChIKey is UGTDRGMYVOSRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-5-6-7-8-11-18(20-4-2)16-12-13-19-17(15-16)10-9-14-21-19/h12-13,15,18,20H,3-11,14H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-6-yl)-N-ethyloctan-1-amine?
1-(3,4-dihydro-2H-chromen-6-yl)-N-ethyloctan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-6-yl)-N-ethyloctan-1-amine is sourced from PubChem (CID 63503929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).