8-ethynyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine

C18H25N — CID 10038007

IUPAC8-ethynyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESC#Cc1cccc2c1CC(N(CCC)CCC)CC2
InChIInChI=1S/C18H25N/c1-4-12-19(13-5-2)17-11-10-16-9-7-8-15(6-3)18(16)14-17/h3,7-9,17H,4-5,10-14H2,1-2H3
InChIKeyLYBXSCJLHDEMEU-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.65
Rot. Bonds5

About 8-ethynyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine

8-ethynyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 10038007) has the molecular formula C18H25N and a molecular weight of 255.40 g/mol. Its IUPAC name is 8-ethynyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name8-ethynyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID10038007
Molecular FormulaC18H25N
Molecular Weight255.40 g/mol
Exact Mass255.20
IUPAC Name8-ethynyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESC#Cc1cccc2c1CC(N(CCC)CCC)CC2
InChIInChI=1S/C18H25N/c1-4-12-19(13-5-2)17-11-10-16-9-7-8-15(6-3)18(16)14-17/h3,7-9,17H,4-5,10-14H2,1-2H3
InChIKeyLYBXSCJLHDEMEU-UHFFFAOYSA-N
XLogP3.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.65
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 8-ethynyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 8-ethynyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 10038007) is 8-ethynyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 8-ethynyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 8-ethynyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is C#Cc1cccc2c1CC(N(CCC)CCC)CC2.
What is the InChIKey of 8-ethynyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is LYBXSCJLHDEMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-4-12-19(13-5-2)17-11-10-16-9-7-8-15(6-3)18(16)14-17/h3,7-9,17H,4-5,10-14H2,1-2H3.
What are the key properties of 8-ethynyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
8-ethynyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 255.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethynyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 10038007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).