N-methyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine

C19H19N — CID 54579274

IUPACN-methyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine
SMILESC=CCN(C)C(C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H19N/c1-3-16-20(2)19(18-12-8-5-9-13-18)15-14-17-10-6-4-7-11-17/h3-13,19H,1,16H2,2H3
InChIKeyFVRDUOHTWKXIKA-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.90
Rot. Bonds4

About N-methyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine

N-methyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine (PubChem CID 54579274) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is N-methyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-methyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine
PubChem CID54579274
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC NameN-methyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine
SMILESC=CCN(C)C(C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H19N/c1-3-16-20(2)19(18-12-8-5-9-13-18)15-14-17-10-6-4-7-11-17/h3-13,19H,1,16H2,2H3
InChIKeyFVRDUOHTWKXIKA-UHFFFAOYSA-N
XLogP3.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine?
The IUPAC name of N-methyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine (CID 54579274) is N-methyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine.
What is the SMILES notation for N-methyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine?
The canonical SMILES for N-methyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine is C=CCN(C)C(C#Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-methyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine?
The InChIKey is FVRDUOHTWKXIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c1-3-16-20(2)19(18-12-8-5-9-13-18)15-14-17-10-6-4-7-11-17/h3-13,19H,1,16H2,2H3.
What are the key properties of N-methyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine?
N-methyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine has a molecular weight of 261.37 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,3-diphenyl-N-prop-2-enylprop-2-yn-1-amine is sourced from PubChem (CID 54579274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).