4-(5,6,7,8-tetrahydronaphthalen-2-yl)but-3-yn-1-amine

C14H17N — CID 116641482

IUPAC4-(5,6,7,8-tetrahydronaphthalen-2-yl)but-3-yn-1-amine
SMILESNCCC#Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C14H17N/c15-10-4-3-5-12-8-9-13-6-1-2-7-14(13)11-12/h8-9,11H,1-2,4,6-7,10,15H2
InChIKeyWUGQPKYDUIWTKZ-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.27
Rot. Bonds1

About 4-(5,6,7,8-tetrahydronaphthalen-2-yl)but-3-yn-1-amine

4-(5,6,7,8-tetrahydronaphthalen-2-yl)but-3-yn-1-amine (PubChem CID 116641482) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-(5,6,7,8-tetrahydronaphthalen-2-yl)but-3-yn-1-amine.

Molecular Properties

Compound Name4-(5,6,7,8-tetrahydronaphthalen-2-yl)but-3-yn-1-amine
PubChem CID116641482
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name4-(5,6,7,8-tetrahydronaphthalen-2-yl)but-3-yn-1-amine
SMILESNCCC#Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C14H17N/c15-10-4-3-5-12-8-9-13-6-1-2-7-14(13)11-12/h8-9,11H,1-2,4,6-7,10,15H2
InChIKeyWUGQPKYDUIWTKZ-UHFFFAOYSA-N
XLogP2.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.27
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

6-(3-chloroprop-1-ynyl)-1,2,3,4-tetrahydronaphthalene
CID 60800052
5-[2-[4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene
CID 59146823
1-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-yn-3-amine
CID 106226262
6-(1,3-dihydro-2-benzofuran-5-yl)hex-5-yn-1-amine
CID 106208946
4-(4-chlorophenyl)but-3-yn-1-amine
CID 116641356
4-(4-fluorophenyl)but-3-yn-1-amine
CID 116641342
2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 61070182
5,6,7,8-tetrahydronaphthalen-2-ylmethanamine;hydrochloride
CID 18993882
2-(2,3-dihydro-1H-inden-5-yl)ethanamine;hydrochloride
CID 135381745
ethyl 3-(2,3-dihydro-1H-inden-5-yl)prop-2-ynoate
CID 176935237
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
4-[4-(2-methoxyethyl)phenyl]but-3-yn-1-amine
CID 116641483

Frequently Asked Questions

What is the IUPAC name of 4-(5,6,7,8-tetrahydronaphthalen-2-yl)but-3-yn-1-amine?
The IUPAC name of 4-(5,6,7,8-tetrahydronaphthalen-2-yl)but-3-yn-1-amine (CID 116641482) is 4-(5,6,7,8-tetrahydronaphthalen-2-yl)but-3-yn-1-amine.
What is the SMILES notation for 4-(5,6,7,8-tetrahydronaphthalen-2-yl)but-3-yn-1-amine?
The canonical SMILES for 4-(5,6,7,8-tetrahydronaphthalen-2-yl)but-3-yn-1-amine is NCCC#Cc1ccc2c(c1)CCCC2.
What is the InChIKey of 4-(5,6,7,8-tetrahydronaphthalen-2-yl)but-3-yn-1-amine?
The InChIKey is WUGQPKYDUIWTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c15-10-4-3-5-12-8-9-13-6-1-2-7-14(13)11-12/h8-9,11H,1-2,4,6-7,10,15H2.
What are the key properties of 4-(5,6,7,8-tetrahydronaphthalen-2-yl)but-3-yn-1-amine?
4-(5,6,7,8-tetrahydronaphthalen-2-yl)but-3-yn-1-amine has a molecular weight of 199.30 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6,7,8-tetrahydronaphthalen-2-yl)but-3-yn-1-amine is sourced from PubChem (CID 116641482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).