N,N-dimethyl-2-phenylethynamine

C10H11N — CID 11768703

IUPACN,N-dimethyl-2-phenylethynamine
SMILESCN(C)C#Cc1ccccc1
InChIInChI=1S/C10H11N/c1-11(2)9-8-10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyFSTSWGNPHCPTNB-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.56
Rot. Bonds

About N,N-dimethyl-2-phenylethynamine

N,N-dimethyl-2-phenylethynamine (PubChem CID 11768703) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is N,N-dimethyl-2-phenylethynamine.

Molecular Properties

Compound NameN,N-dimethyl-2-phenylethynamine
PubChem CID11768703
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC NameN,N-dimethyl-2-phenylethynamine
SMILESCN(C)C#Cc1ccccc1
InChIInChI=1S/C10H11N/c1-11(2)9-8-10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyFSTSWGNPHCPTNB-UHFFFAOYSA-N
XLogP1.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-phenylethynamine?
The IUPAC name of N,N-dimethyl-2-phenylethynamine (CID 11768703) is N,N-dimethyl-2-phenylethynamine.
What is the SMILES notation for N,N-dimethyl-2-phenylethynamine?
The canonical SMILES for N,N-dimethyl-2-phenylethynamine is CN(C)C#Cc1ccccc1.
What is the InChIKey of N,N-dimethyl-2-phenylethynamine?
The InChIKey is FSTSWGNPHCPTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-11(2)9-8-10-6-4-3-5-7-10/h3-7H,1-2H3.
What are the key properties of N,N-dimethyl-2-phenylethynamine?
N,N-dimethyl-2-phenylethynamine has a molecular weight of 145.20 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-phenylethynamine is sourced from PubChem (CID 11768703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).