N,N-diethyl-3-naphthalen-1-ylprop-2-yn-1-amine

C17H19N — CID 14341492

IUPACN,N-diethyl-3-naphthalen-1-ylprop-2-yn-1-amine
SMILESCCN(CC)CC#Cc1cccc2ccccc12
InChIInChI=1S/C17H19N/c1-3-18(4-2)14-8-12-16-11-7-10-15-9-5-6-13-17(15)16/h5-7,9-11,13H,3-4,14H2,1-2H3
InChIKeyWTESTJOYRJZHOX-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.53
Rot. Bonds3

About N,N-diethyl-3-naphthalen-1-ylprop-2-yn-1-amine

N,N-diethyl-3-naphthalen-1-ylprop-2-yn-1-amine (PubChem CID 14341492) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is N,N-diethyl-3-naphthalen-1-ylprop-2-yn-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-naphthalen-1-ylprop-2-yn-1-amine
PubChem CID14341492
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC NameN,N-diethyl-3-naphthalen-1-ylprop-2-yn-1-amine
SMILESCCN(CC)CC#Cc1cccc2ccccc12
InChIInChI=1S/C17H19N/c1-3-18(4-2)14-8-12-16-11-7-10-15-9-5-6-13-17(15)16/h5-7,9-11,13H,3-4,14H2,1-2H3
InChIKeyWTESTJOYRJZHOX-UHFFFAOYSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-naphthalen-1-ylprop-2-yn-1-amine?
The IUPAC name of N,N-diethyl-3-naphthalen-1-ylprop-2-yn-1-amine (CID 14341492) is N,N-diethyl-3-naphthalen-1-ylprop-2-yn-1-amine.
What is the SMILES notation for N,N-diethyl-3-naphthalen-1-ylprop-2-yn-1-amine?
The canonical SMILES for N,N-diethyl-3-naphthalen-1-ylprop-2-yn-1-amine is CCN(CC)CC#Cc1cccc2ccccc12.
What is the InChIKey of N,N-diethyl-3-naphthalen-1-ylprop-2-yn-1-amine?
The InChIKey is WTESTJOYRJZHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-3-18(4-2)14-8-12-16-11-7-10-15-9-5-6-13-17(15)16/h5-7,9-11,13H,3-4,14H2,1-2H3.
What are the key properties of N,N-diethyl-3-naphthalen-1-ylprop-2-yn-1-amine?
N,N-diethyl-3-naphthalen-1-ylprop-2-yn-1-amine has a molecular weight of 237.35 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-naphthalen-1-ylprop-2-yn-1-amine is sourced from PubChem (CID 14341492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).