2-(hexylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

C18H27NO — CID 82101388

IUPAC2-(hexylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESCCCCCCNCC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H27NO/c1-2-3-4-7-12-19-14-18(20)17-11-10-15-8-5-6-9-16(15)13-17/h10-11,13,19H,2-9,12,14H2,1H3
InChIKeyRXSLGKXHIQXXTM-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.92
Rot. Bonds8

About 2-(hexylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

2-(hexylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 82101388) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(hexylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name2-(hexylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
PubChem CID82101388
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-(hexylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESCCCCCCNCC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H27NO/c1-2-3-4-7-12-19-14-18(20)17-11-10-15-8-5-6-9-16(15)13-17/h10-11,13,19H,2-9,12,14H2,1H3
InChIKeyRXSLGKXHIQXXTM-UHFFFAOYSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.92
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-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one
CID 65449682
2-(2-hydroxyethylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82101380
1-(2,3-dihydro-1H-indol-5-yl)-2-(pentylamino)ethanone
CID 82102357
2-(hexylamino)-1-(4-methylphenyl)ethanone
CID 82101213
2-(hexylamino)-1-phenylethanone
CID 82101185
1-(2,3-dihydro-1H-inden-5-yl)-2-(prop-2-enylamino)ethanone
CID 82102300
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone
CID 82102314
1-(3-amino-4-methylphenyl)-2-(butylamino)ethanone
CID 98014245
N-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]acetamide
CID 82113869
2-butoxy-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 43801226
1-(3,4-dihydroxyphenyl)-2-(3-octoxypropylamino)ethanone
CID 3026301
2-ethylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82050708

Frequently Asked Questions

What is the IUPAC name of 2-(hexylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of 2-(hexylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (CID 82101388) is 2-(hexylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 2-(hexylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 2-(hexylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is CCCCCCNCC(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(hexylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is RXSLGKXHIQXXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-3-4-7-12-19-14-18(20)17-11-10-15-8-5-6-9-16(15)13-17/h10-11,13,19H,2-9,12,14H2,1H3.
What are the key properties of 2-(hexylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
2-(hexylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 273.42 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 82101388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).