1-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-yn-3-amine

C15H19N — CID 106226262

IUPAC1-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-yn-3-amine
SMILESCCC(N)C#Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C15H19N/c1-2-15(16)10-8-12-7-9-13-5-3-4-6-14(13)11-12/h7,9,11,15H,2-6,16H2,1H3
InChIKeyDJQUOKWOQKGLIA-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.65
Rot. Bonds1

About 1-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-yn-3-amine

1-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-yn-3-amine (PubChem CID 106226262) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-yn-3-amine.

Molecular Properties

Compound Name1-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-yn-3-amine
PubChem CID106226262
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name1-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-yn-3-amine
SMILESCCC(N)C#Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C15H19N/c1-2-15(16)10-8-12-7-9-13-5-3-4-6-14(13)11-12/h7,9,11,15H,2-6,16H2,1H3
InChIKeyDJQUOKWOQKGLIA-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene
CID 59146823
4-(5,6,7,8-tetrahydronaphthalen-2-yl)but-3-yn-1-amine
CID 116641482
6-(3-chloroprop-1-ynyl)-1,2,3,4-tetrahydronaphthalene
CID 60800052
ethyl 3-(2,3-dihydro-1H-inden-5-yl)prop-2-ynoate
CID 176935237
1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 43198216
5-[2-[2-cyclopropyl-4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene
CID 143655916
(4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43111676
1-(2,4-dimethoxyphenyl)pent-1-yn-3-amine
CID 106225703
1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]butan-2-amine
CID 63819994
1-(2,3-dihydro-1H-inden-5-yl)-3-phenylpentan-2-amine
CID 115864978
1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanylpropan-2-amine
CID 65127704
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431

Frequently Asked Questions

What is the IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-yn-3-amine?
The IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-yn-3-amine (CID 106226262) is 1-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-yn-3-amine.
What is the SMILES notation for 1-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-yn-3-amine?
The canonical SMILES for 1-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-yn-3-amine is CCC(N)C#Cc1ccc2c(c1)CCCC2.
What is the InChIKey of 1-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-yn-3-amine?
The InChIKey is DJQUOKWOQKGLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-2-15(16)10-8-12-7-9-13-5-3-4-6-14(13)11-12/h7,9,11,15H,2-6,16H2,1H3.
What are the key properties of 1-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-yn-3-amine?
1-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-yn-3-amine has a molecular weight of 213.32 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-yn-3-amine is sourced from PubChem (CID 106226262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).