N,N-dimethyl-5-(4-methylphenyl)penta-2,4-diyn-1-amine

C14H15N — CID 171384697

IUPACN,N-dimethyl-5-(4-methylphenyl)penta-2,4-diyn-1-amine
SMILESCc1ccc(C#CC#CCN(C)C)cc1
InChIInChI=1S/C14H15N/c1-13-8-10-14(11-9-13)7-5-4-6-12-15(2)3/h8-11H,12H2,1-3H3
InChIKeyGLCTWMXCGQVWMH-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.91
Rot. Bonds1

About N,N-dimethyl-5-(4-methylphenyl)penta-2,4-diyn-1-amine

N,N-dimethyl-5-(4-methylphenyl)penta-2,4-diyn-1-amine (PubChem CID 171384697) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is N,N-dimethyl-5-(4-methylphenyl)penta-2,4-diyn-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-(4-methylphenyl)penta-2,4-diyn-1-amine
PubChem CID171384697
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC NameN,N-dimethyl-5-(4-methylphenyl)penta-2,4-diyn-1-amine
SMILESCc1ccc(C#CC#CCN(C)C)cc1
InChIInChI=1S/C14H15N/c1-13-8-10-14(11-9-13)7-5-4-6-12-15(2)3/h8-11H,12H2,1-3H3
InChIKeyGLCTWMXCGQVWMH-UHFFFAOYSA-N
XLogP1.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.91
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

N,N-Dimethylphenylethylamine
CID 25125
p-Ethynyltoluene
CID 13018
1-(3-Phenyl-2-propyn-1-yl)piperidine
CID 200711
3-Phenylprop-2-yn-1-amine hydrochloride
CID 11957674
N,N-dimethyl-1-phenylhex-5-en-1-yn-3-amine
CID 647249
N,N-dimethyl-3-phenylprop-2-ynamide
CID 916350
N,N-Diethyl-3-phenyl-2-propyn-1-amine
CID 123402
3-Phenylpropargylamine
CID 1681
Methyl(3-phenylprop-2-yn-1-yl)(prop-2-en-1-yl)amine
CID 12284266
Dimethyl[3-(4-methylphenyl)prop-2-yn-1-yl](prop-2-yn-1-yl)ammonium bromide
CID 16192919
1-(4-Phenylbut-3-ynyl)piperidine
CID 45482498
Diethyl-(3-phenyl-prop-2-ynyl)-prop-2-ynyl-ammonium
CID 16682354

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(4-methylphenyl)penta-2,4-diyn-1-amine?
The IUPAC name of N,N-dimethyl-5-(4-methylphenyl)penta-2,4-diyn-1-amine (CID 171384697) is N,N-dimethyl-5-(4-methylphenyl)penta-2,4-diyn-1-amine.
What is the SMILES notation for N,N-dimethyl-5-(4-methylphenyl)penta-2,4-diyn-1-amine?
The canonical SMILES for N,N-dimethyl-5-(4-methylphenyl)penta-2,4-diyn-1-amine is Cc1ccc(C#CC#CCN(C)C)cc1.
What is the InChIKey of N,N-dimethyl-5-(4-methylphenyl)penta-2,4-diyn-1-amine?
The InChIKey is GLCTWMXCGQVWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c1-13-8-10-14(11-9-13)7-5-4-6-12-15(2)3/h8-11H,12H2,1-3H3.
What are the key properties of N,N-dimethyl-5-(4-methylphenyl)penta-2,4-diyn-1-amine?
N,N-dimethyl-5-(4-methylphenyl)penta-2,4-diyn-1-amine has a molecular weight of 197.28 g/mol, XLogP of 1.91, 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-(4-methylphenyl)penta-2,4-diyn-1-amine is sourced from PubChem (CID 171384697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).