N,N-dimethyl-3-(4-methylphenyl)prop-2-yn-1-amine

C12H15N — CID 58923250

IUPACN,N-dimethyl-3-(4-methylphenyl)prop-2-yn-1-amine
SMILESCc1ccc(C#CCN(C)C)cc1
InChIInChI=1S/C12H15N/c1-11-6-8-12(9-7-11)5-4-10-13(2)3/h6-9H,10H2,1-3H3
InChIKeyGWQVGZHEZWJNBX-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.91
Rot. Bonds1

About N,N-dimethyl-3-(4-methylphenyl)prop-2-yn-1-amine

N,N-dimethyl-3-(4-methylphenyl)prop-2-yn-1-amine (PubChem CID 58923250) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-methylphenyl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-methylphenyl)prop-2-yn-1-amine
PubChem CID58923250
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC NameN,N-dimethyl-3-(4-methylphenyl)prop-2-yn-1-amine
SMILESCc1ccc(C#CCN(C)C)cc1
InChIInChI=1S/C12H15N/c1-11-6-8-12(9-7-11)5-4-10-13(2)3/h6-9H,10H2,1-3H3
InChIKeyGWQVGZHEZWJNBX-UHFFFAOYSA-N
XLogP1.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-methylphenyl)prop-2-yn-1-amine?
The IUPAC name of N,N-dimethyl-3-(4-methylphenyl)prop-2-yn-1-amine (CID 58923250) is N,N-dimethyl-3-(4-methylphenyl)prop-2-yn-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(4-methylphenyl)prop-2-yn-1-amine?
The canonical SMILES for N,N-dimethyl-3-(4-methylphenyl)prop-2-yn-1-amine is Cc1ccc(C#CCN(C)C)cc1.
What is the InChIKey of N,N-dimethyl-3-(4-methylphenyl)prop-2-yn-1-amine?
The InChIKey is GWQVGZHEZWJNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-11-6-8-12(9-7-11)5-4-10-13(2)3/h6-9H,10H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(4-methylphenyl)prop-2-yn-1-amine?
N,N-dimethyl-3-(4-methylphenyl)prop-2-yn-1-amine has a molecular weight of 173.26 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-3-(4-methylphenyl)prop-2-yn-1-amine is sourced from PubChem (CID 58923250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).