N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hex-5-yn-1-amine

C18H25N — CID 106209632

IUPACN-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hex-5-yn-1-amine
SMILESC#CCCCCNC(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H25N/c1-3-4-5-8-13-19-15(2)17-12-11-16-9-6-7-10-18(16)14-17/h1,11-12,14-15,19H,4-10,13H2,2H3
InChIKeyMSFMXHKPLHYZMW-UHFFFAOYSA-N
MW255.40 g/mol
LogP4.02
Rot. Bonds6

About N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hex-5-yn-1-amine

N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hex-5-yn-1-amine (PubChem CID 106209632) has the molecular formula C18H25N and a molecular weight of 255.40 g/mol. Its IUPAC name is N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hex-5-yn-1-amine.

Molecular Properties

Compound NameN-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hex-5-yn-1-amine
PubChem CID106209632
Molecular FormulaC18H25N
Molecular Weight255.40 g/mol
Exact Mass255.20
IUPAC NameN-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hex-5-yn-1-amine
SMILESC#CCCCCNC(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H25N/c1-3-4-5-8-13-19-15(2)17-12-11-16-9-6-7-10-18(16)14-17/h1,11-12,14-15,19H,4-10,13H2,2H3
InChIKeyMSFMXHKPLHYZMW-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diamine
CID 60889722
N'-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]butane-1,4-diamine
CID 60893434
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethanol
CID 43151079
1-(2,3-dihydro-1H-inden-5-yl)-N-(2-prop-2-ynylsulfanylethyl)ethanamine
CID 103902490
3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanenitrile
CID 43207724
N-[1-(4-tert-butylphenyl)ethyl]hex-5-yn-1-amine
CID 106209655
N-(2-propan-2-yloxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 115574841
N-[1-(4-chlorophenyl)ethyl]hex-5-yn-1-amine
CID 115693981
N-[1-(4-bromophenyl)ethyl]hex-5-yn-1-amine
CID 115693970
N-[1-(3-fluorophenyl)ethyl]hex-5-yn-1-amine
CID 115693973
N-(2-methylsulfinylethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 113261699
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 43200388

Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hex-5-yn-1-amine?
The IUPAC name of N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hex-5-yn-1-amine (CID 106209632) is N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hex-5-yn-1-amine.
What is the SMILES notation for N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hex-5-yn-1-amine?
The canonical SMILES for N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hex-5-yn-1-amine is C#CCCCCNC(C)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hex-5-yn-1-amine?
The InChIKey is MSFMXHKPLHYZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-3-4-5-8-13-19-15(2)17-12-11-16-9-6-7-10-18(16)14-17/h1,11-12,14-15,19H,4-10,13H2,2H3.
What are the key properties of N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hex-5-yn-1-amine?
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hex-5-yn-1-amine has a molecular weight of 255.40 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hex-5-yn-1-amine is sourced from PubChem (CID 106209632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).