N,N-dimethyl-5-phenylpenta-2,4-diyn-1-amine

C13H13N — CID 171384652

IUPACN,N-dimethyl-5-phenylpenta-2,4-diyn-1-amine
SMILESCN(C)CC#CC#Cc1ccccc1
InChIInChI=1S/C13H13N/c1-14(2)12-8-4-7-11-13-9-5-3-6-10-13/h3,5-6,9-10H,12H2,1-2H3
InChIKeyYPQIERQENFZEJN-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.60
Rot. Bonds1

About N,N-dimethyl-5-phenylpenta-2,4-diyn-1-amine

N,N-dimethyl-5-phenylpenta-2,4-diyn-1-amine (PubChem CID 171384652) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is N,N-dimethyl-5-phenylpenta-2,4-diyn-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-phenylpenta-2,4-diyn-1-amine
PubChem CID171384652
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC NameN,N-dimethyl-5-phenylpenta-2,4-diyn-1-amine
SMILESCN(C)CC#CC#Cc1ccccc1
InChIInChI=1S/C13H13N/c1-14(2)12-8-4-7-11-13-9-5-3-6-10-13/h3,5-6,9-10H,12H2,1-2H3
InChIKeyYPQIERQENFZEJN-UHFFFAOYSA-N
XLogP1.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(+)-Selegiline
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CID 96382
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Methylphenylacetylene
CID 69601

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-phenylpenta-2,4-diyn-1-amine?
The IUPAC name of N,N-dimethyl-5-phenylpenta-2,4-diyn-1-amine (CID 171384652) is N,N-dimethyl-5-phenylpenta-2,4-diyn-1-amine.
What is the SMILES notation for N,N-dimethyl-5-phenylpenta-2,4-diyn-1-amine?
The canonical SMILES for N,N-dimethyl-5-phenylpenta-2,4-diyn-1-amine is CN(C)CC#CC#Cc1ccccc1.
What is the InChIKey of N,N-dimethyl-5-phenylpenta-2,4-diyn-1-amine?
The InChIKey is YPQIERQENFZEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-14(2)12-8-4-7-11-13-9-5-3-6-10-13/h3,5-6,9-10H,12H2,1-2H3.
What are the key properties of N,N-dimethyl-5-phenylpenta-2,4-diyn-1-amine?
N,N-dimethyl-5-phenylpenta-2,4-diyn-1-amine has a molecular weight of 183.25 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-phenylpenta-2,4-diyn-1-amine is sourced from PubChem (CID 171384652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).