N,N-dibenzylprop-2-yn-1-amine

C17H17N — CID 10963421

IUPACN,N-dibenzylprop-2-yn-1-amine
SMILESC#CCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H17N/c1-2-13-18(14-16-9-5-3-6-10-16)15-17-11-7-4-8-12-17/h1,3-12H,13-15H2
InChIKeyWMJCLHWQJNADLX-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.32
Rot. Bonds5

About N,N-dibenzylprop-2-yn-1-amine

N,N-dibenzylprop-2-yn-1-amine (PubChem CID 10963421) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is N,N-dibenzylprop-2-yn-1-amine.

Molecular Properties

Compound NameN,N-dibenzylprop-2-yn-1-amine
PubChem CID10963421
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC NameN,N-dibenzylprop-2-yn-1-amine
SMILESC#CCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H17N/c1-2-13-18(14-16-9-5-3-6-10-16)15-17-11-7-4-8-12-17/h1,3-12H,13-15H2
InChIKeyWMJCLHWQJNADLX-UHFFFAOYSA-N
XLogP3.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.32
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 N,N-dibenzylprop-2-yn-1-amine?
The IUPAC name of N,N-dibenzylprop-2-yn-1-amine (CID 10963421) is N,N-dibenzylprop-2-yn-1-amine.
What is the SMILES notation for N,N-dibenzylprop-2-yn-1-amine?
The canonical SMILES for N,N-dibenzylprop-2-yn-1-amine is C#CCN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzylprop-2-yn-1-amine?
The InChIKey is WMJCLHWQJNADLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-2-13-18(14-16-9-5-3-6-10-16)15-17-11-7-4-8-12-17/h1,3-12H,13-15H2.
What are the key properties of N,N-dibenzylprop-2-yn-1-amine?
N,N-dibenzylprop-2-yn-1-amine has a molecular weight of 235.33 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzylprop-2-yn-1-amine is sourced from PubChem (CID 10963421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).