1-(4-methylnaphthalen-1-yl)hex-1-yn-3-amine

C17H19N — CID 114160791

IUPAC1-(4-methylnaphthalen-1-yl)hex-1-yn-3-amine
SMILESCCCC(N)C#Cc1ccc(C)c2ccccc12
InChIInChI=1S/C17H19N/c1-3-6-15(18)12-11-14-10-9-13(2)16-7-4-5-8-17(14)16/h4-5,7-10,15H,3,6,18H2,1-2H3
InChIKeyXSYDOVLFDUXURN-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.63
Rot. Bonds2

About 1-(4-methylnaphthalen-1-yl)hex-1-yn-3-amine

1-(4-methylnaphthalen-1-yl)hex-1-yn-3-amine (PubChem CID 114160791) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(4-methylnaphthalen-1-yl)hex-1-yn-3-amine.

Molecular Properties

Compound Name1-(4-methylnaphthalen-1-yl)hex-1-yn-3-amine
PubChem CID114160791
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name1-(4-methylnaphthalen-1-yl)hex-1-yn-3-amine
SMILESCCCC(N)C#Cc1ccc(C)c2ccccc12
InChIInChI=1S/C17H19N/c1-3-6-15(18)12-11-14-10-9-13(2)16-7-4-5-8-17(14)16/h4-5,7-10,15H,3,6,18H2,1-2H3
InChIKeyXSYDOVLFDUXURN-UHFFFAOYSA-N
XLogP3.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
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 1-(4-methylnaphthalen-1-yl)hex-1-yn-3-amine?
The IUPAC name of 1-(4-methylnaphthalen-1-yl)hex-1-yn-3-amine (CID 114160791) is 1-(4-methylnaphthalen-1-yl)hex-1-yn-3-amine.
What is the SMILES notation for 1-(4-methylnaphthalen-1-yl)hex-1-yn-3-amine?
The canonical SMILES for 1-(4-methylnaphthalen-1-yl)hex-1-yn-3-amine is CCCC(N)C#Cc1ccc(C)c2ccccc12.
What is the InChIKey of 1-(4-methylnaphthalen-1-yl)hex-1-yn-3-amine?
The InChIKey is XSYDOVLFDUXURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-3-6-15(18)12-11-14-10-9-13(2)16-7-4-5-8-17(14)16/h4-5,7-10,15H,3,6,18H2,1-2H3.
What are the key properties of 1-(4-methylnaphthalen-1-yl)hex-1-yn-3-amine?
1-(4-methylnaphthalen-1-yl)hex-1-yn-3-amine has a molecular weight of 237.35 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylnaphthalen-1-yl)hex-1-yn-3-amine is sourced from PubChem (CID 114160791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).