5-methoxy-N,N-dimethyl-5,5-diphenylpent-3-yn-1-amine;hydrochloride

C20H24ClNO — CID 12004501

IUPAC5-methoxy-N,N-dimethyl-5,5-diphenylpent-3-yn-1-amine;hydrochloride
SMILESCOC(C#CCCN(C)C)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C20H23NO.ClH/c1-21(2)17-11-10-16-20(22-3,18-12-6-4-7-13-18)19-14-8-5-9-15-19;/h4-9,12-15H,11,17H2,1-3H3;1H
InChIKeyZXSRFHQCNPGPHE-UHFFFAOYSA-N
MW329.87 g/mol
LogP3.95
Rot. Bonds5

About 5-methoxy-N,N-dimethyl-5,5-diphenylpent-3-yn-1-amine;hydrochloride

5-methoxy-N,N-dimethyl-5,5-diphenylpent-3-yn-1-amine;hydrochloride (PubChem CID 12004501) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is 5-methoxy-N,N-dimethyl-5,5-diphenylpent-3-yn-1-amine;hydrochloride.

Molecular Properties

Compound Name5-methoxy-N,N-dimethyl-5,5-diphenylpent-3-yn-1-amine;hydrochloride
PubChem CID12004501
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name5-methoxy-N,N-dimethyl-5,5-diphenylpent-3-yn-1-amine;hydrochloride
SMILESCOC(C#CCCN(C)C)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C20H23NO.ClH/c1-21(2)17-11-10-16-20(22-3,18-12-6-4-7-13-18)19-14-8-5-9-15-19;/h4-9,12-15H,11,17H2,1-3H3;1H
InChIKeyZXSRFHQCNPGPHE-UHFFFAOYSA-N
XLogP3.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-methoxy-N,N-dimethyl-5,5-diphenylpent-3-yn-1-amine;hydrochloride?
The IUPAC name of 5-methoxy-N,N-dimethyl-5,5-diphenylpent-3-yn-1-amine;hydrochloride (CID 12004501) is 5-methoxy-N,N-dimethyl-5,5-diphenylpent-3-yn-1-amine;hydrochloride.
What is the SMILES notation for 5-methoxy-N,N-dimethyl-5,5-diphenylpent-3-yn-1-amine;hydrochloride?
The canonical SMILES for 5-methoxy-N,N-dimethyl-5,5-diphenylpent-3-yn-1-amine;hydrochloride is COC(C#CCCN(C)C)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 5-methoxy-N,N-dimethyl-5,5-diphenylpent-3-yn-1-amine;hydrochloride?
The InChIKey is ZXSRFHQCNPGPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO.ClH/c1-21(2)17-11-10-16-20(22-3,18-12-6-4-7-13-18)19-14-8-5-9-15-19;/h4-9,12-15H,11,17H2,1-3H3;1H.
What are the key properties of 5-methoxy-N,N-dimethyl-5,5-diphenylpent-3-yn-1-amine;hydrochloride?
5-methoxy-N,N-dimethyl-5,5-diphenylpent-3-yn-1-amine;hydrochloride has a molecular weight of 329.87 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N,N-dimethyl-5,5-diphenylpent-3-yn-1-amine;hydrochloride is sourced from PubChem (CID 12004501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).