4,8-diethynylnaphthalen-1-amine

C14H9N — CID 22338949

IUPAC4,8-diethynylnaphthalen-1-amine
SMILESC#Cc1ccc(N)c2c(C#C)cccc12
InChIInChI=1S/C14H9N/c1-3-10-8-9-13(15)14-11(4-2)6-5-7-12(10)14/h1-2,5-9H,15H2
InChIKeyXXWNCTPNSZGRRM-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.38
Rot. Bonds

About 4,8-diethynylnaphthalen-1-amine

4,8-diethynylnaphthalen-1-amine (PubChem CID 22338949) has the molecular formula C14H9N and a molecular weight of 191.23 g/mol. Its IUPAC name is 4,8-diethynylnaphthalen-1-amine.

Molecular Properties

Compound Name4,8-diethynylnaphthalen-1-amine
PubChem CID22338949
Molecular FormulaC14H9N
Molecular Weight191.23 g/mol
Exact Mass191.07
IUPAC Name4,8-diethynylnaphthalen-1-amine
SMILESC#Cc1ccc(N)c2c(C#C)cccc12
InChIInChI=1S/C14H9N/c1-3-10-8-9-13(15)14-11(4-2)6-5-7-12(10)14/h1-2,5-9H,15H2
InChIKeyXXWNCTPNSZGRRM-UHFFFAOYSA-N
XLogP2.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,8-diethynylnaphthalen-1-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

4-ethynylnaphthalen-1-amine;5-ethynylnaphthalen-1-amine
CID 161214551
2,3-diethynylaniline
CID 71361995
1-ethynyl-6-[2-[8-[2-(6-ethynylpyren-1-yl)ethynyl]naphthalen-1-yl]ethynyl]pyrene
CID 102133431
1,8-diethynylpyrene
CID 53420148
1-ethynyl-5-fluoronaphthalene
CID 86094759
4-ethynyl-1,2-benzoxazol-3-amine
CID 167736135
1-ethynyl-5-phenylnaphthalene
CID 162499401
1,3,5-triethynylnaphthalene
CID 139963259
bicyclo[2.2.0]hexa-1,3,5-triene;2-ethynylaniline
CID 21083105
S-(4-ethynylnaphthalen-1-yl)thiohydroxylamine
CID 175457418
ethane;5-ethynyl-4-methylnaphthalen-2-amine
CID 166141695
1-ethynylthioxanthen-9-one
CID 172777297

Frequently Asked Questions

What is the IUPAC name of 4,8-diethynylnaphthalen-1-amine?
The IUPAC name of 4,8-diethynylnaphthalen-1-amine (CID 22338949) is 4,8-diethynylnaphthalen-1-amine.
What is the SMILES notation for 4,8-diethynylnaphthalen-1-amine?
The canonical SMILES for 4,8-diethynylnaphthalen-1-amine is C#Cc1ccc(N)c2c(C#C)cccc12.
What is the InChIKey of 4,8-diethynylnaphthalen-1-amine?
The InChIKey is XXWNCTPNSZGRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N/c1-3-10-8-9-13(15)14-11(4-2)6-5-7-12(10)14/h1-2,5-9H,15H2.
What are the key properties of 4,8-diethynylnaphthalen-1-amine?
4,8-diethynylnaphthalen-1-amine has a molecular weight of 191.23 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-diethynylnaphthalen-1-amine is sourced from PubChem (CID 22338949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).