N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)but-3-yn-2-amine

C15H19N — CID 114416758

IUPACN-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)but-3-yn-2-amine
SMILESC#CC(C)NCC1CCCc2ccccc21
InChIInChI=1S/C15H19N/c1-3-12(2)16-11-14-9-6-8-13-7-4-5-10-15(13)14/h1,4-5,7,10,12,14,16H,6,8-9,11H2,2H3
InChIKeyWJGPPEOACKRJMO-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.72
Rot. Bonds3

About N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)but-3-yn-2-amine

N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)but-3-yn-2-amine (PubChem CID 114416758) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)but-3-yn-2-amine.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)but-3-yn-2-amine
PubChem CID114416758
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)but-3-yn-2-amine
SMILESC#CC(C)NCC1CCCc2ccccc21
InChIInChI=1S/C15H19N/c1-3-12(2)16-11-14-9-6-8-13-7-4-5-10-15(13)14/h1,4-5,7,10,12,14,16H,6,8-9,11H2,2H3
InChIKeyWJGPPEOACKRJMO-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)but-3-yn-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-yn-1-amine
CID 63770878
(1R)-1-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 81347497
(1R)-1-cyclohexyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 81384440
4-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butan-2-amine
CID 83188117
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-N,1-N-dimethyl-3-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butane-1,3-diamine
CID 63771246
1-(5-methylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 63772271
N-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetamide
CID 63773485
1-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentan-3-amine
CID 113496280
1-(2,5-dimethylthiophen-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 63772960
2-methyl-3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine
CID 63770721
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)but-3-yn-2-amine?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)but-3-yn-2-amine (CID 114416758) is N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)but-3-yn-2-amine.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)but-3-yn-2-amine?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)but-3-yn-2-amine is C#CC(C)NCC1CCCc2ccccc21.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)but-3-yn-2-amine?
The InChIKey is WJGPPEOACKRJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-3-12(2)16-11-14-9-6-8-13-7-4-5-10-15(13)14/h1,4-5,7,10,12,14,16H,6,8-9,11H2,2H3.
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)but-3-yn-2-amine?
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)but-3-yn-2-amine has a molecular weight of 213.32 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)but-3-yn-2-amine is sourced from PubChem (CID 114416758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).