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

C17H27NO — CID 65306061

IUPAC6-(3,4-dihydro-2H-chromen-6-yl)-N-ethylhexan-1-amine
SMILESCCNCCCCCCc1ccc2c(c1)CCCO2
InChIInChI=1S/C17H27NO/c1-2-18-12-6-4-3-5-8-15-10-11-17-16(14-15)9-7-13-19-17/h10-11,14,18H,2-9,12-13H2,1H3
InChIKeySHRBWWFHIFFONB-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.72
Rot. Bonds8

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

6-(3,4-dihydro-2H-chromen-6-yl)-N-ethylhexan-1-amine (PubChem CID 65306061) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-chromen-6-yl)-N-ethylhexan-1-amine.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-chromen-6-yl)-N-ethylhexan-1-amine
PubChem CID65306061
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name6-(3,4-dihydro-2H-chromen-6-yl)-N-ethylhexan-1-amine
SMILESCCNCCCCCCc1ccc2c(c1)CCCO2
InChIInChI=1S/C17H27NO/c1-2-18-12-6-4-3-5-8-15-10-11-17-16(14-15)9-7-13-19-17/h10-11,14,18H,2-9,12-13H2,1H3
InChIKeySHRBWWFHIFFONB-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.72
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

3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine
CID 65446095
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-ethylpentan-1-amine
CID 65300764
4-(3,4-dihydro-2H-chromen-6-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 65306110
5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-ethylpentan-1-amine
CID 65305304
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)hexan-1-amine
CID 43804174
2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]ethanol
CID 96659085
5-(3,4-dihydro-2H-chromen-6-yl)pentanenitrile
CID 82471341
N-[6-(2,3-dihydro-1-benzofuran-5-yl)hexyl]cyclopropanamine
CID 65308356
N-ethyl-4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine
CID 65303126
2-(3,4-dihydro-2H-chromen-6-yl)-N-(hydrazinylmethyl)ethanamine
CID 115261148
5-(3,4-dihydro-2H-chromen-6-yl)-N'-methylpentanehydrazide
CID 116846644
methyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]acetate
CID 115233066

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-chromen-6-yl)-N-ethylhexan-1-amine?
The IUPAC name of 6-(3,4-dihydro-2H-chromen-6-yl)-N-ethylhexan-1-amine (CID 65306061) is 6-(3,4-dihydro-2H-chromen-6-yl)-N-ethylhexan-1-amine.
What is the SMILES notation for 6-(3,4-dihydro-2H-chromen-6-yl)-N-ethylhexan-1-amine?
The canonical SMILES for 6-(3,4-dihydro-2H-chromen-6-yl)-N-ethylhexan-1-amine is CCNCCCCCCc1ccc2c(c1)CCCO2.
What is the InChIKey of 6-(3,4-dihydro-2H-chromen-6-yl)-N-ethylhexan-1-amine?
The InChIKey is SHRBWWFHIFFONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-18-12-6-4-3-5-8-15-10-11-17-16(14-15)9-7-13-19-17/h10-11,14,18H,2-9,12-13H2,1H3.
What are the key properties of 6-(3,4-dihydro-2H-chromen-6-yl)-N-ethylhexan-1-amine?
6-(3,4-dihydro-2H-chromen-6-yl)-N-ethylhexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-chromen-6-yl)-N-ethylhexan-1-amine is sourced from PubChem (CID 65306061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).