N,N-diethyl-4,4-diphenylbut-2-yn-1-amine

C20H23N — CID 1415531

IUPACN,N-diethyl-4,4-diphenylbut-2-yn-1-amine
SMILESCCN(CC)CC#CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23N/c1-3-21(4-2)17-11-16-20(18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15,20H,3-4,17H2,1-2H3
InChIKeyIGRUZQSJOFTRTG-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.16
Rot. Bonds5

About N,N-diethyl-4,4-diphenylbut-2-yn-1-amine

N,N-diethyl-4,4-diphenylbut-2-yn-1-amine (PubChem CID 1415531) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is N,N-diethyl-4,4-diphenylbut-2-yn-1-amine.

Molecular Properties

Compound NameN,N-diethyl-4,4-diphenylbut-2-yn-1-amine
PubChem CID1415531
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC NameN,N-diethyl-4,4-diphenylbut-2-yn-1-amine
SMILESCCN(CC)CC#CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23N/c1-3-21(4-2)17-11-16-20(18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15,20H,3-4,17H2,1-2H3
InChIKeyIGRUZQSJOFTRTG-UHFFFAOYSA-N
XLogP4.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.16
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

6-(diethylamino)-1,1-diphenylhex-4-yn-2-one
CID 57339628
N,N-diethyl-5-(4-methoxyphenyl)-5-phenylpent-2-yn-1-amine;oxalic acid
CID 2892779
N-ethyl-2-phenyl-N-propylpropan-1-amine
CID 143014369
7-(diethylamino)-2-methyl-3-phenylhept-5-yn-3-ol
CID 102551639
2-[chloro(phenyl)methoxy]-N,N-diethylethanamine
CID 70132792
N,N,N',N'-tetraethyl-1,2-diphenylethane-1,2-diamine
CID 595707
N,N-dimethyl-1-phenylpropan-1-amine;ethane
CID 144553481
N',N'-diethyl-2-phenylpropane-1,3-diamine
CID 43532107
4-(diethylamino)but-2-ynyl 3-cyclohexylidene-2-phenylpropanoate
CID 170568283
4-(diethylamino)but-2-ynyl 3-cyclohexylidene-2-phenylpropanoate;methanol
CID 170568282
N,N',N'-triethyl-1-phenylethane-1,2-diamine
CID 60695169
cumene;2-methylpropane;propane
CID 158125037

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4,4-diphenylbut-2-yn-1-amine?
The IUPAC name of N,N-diethyl-4,4-diphenylbut-2-yn-1-amine (CID 1415531) is N,N-diethyl-4,4-diphenylbut-2-yn-1-amine.
What is the SMILES notation for N,N-diethyl-4,4-diphenylbut-2-yn-1-amine?
The canonical SMILES for N,N-diethyl-4,4-diphenylbut-2-yn-1-amine is CCN(CC)CC#CC(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-diethyl-4,4-diphenylbut-2-yn-1-amine?
The InChIKey is IGRUZQSJOFTRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-3-21(4-2)17-11-16-20(18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15,20H,3-4,17H2,1-2H3.
What are the key properties of N,N-diethyl-4,4-diphenylbut-2-yn-1-amine?
N,N-diethyl-4,4-diphenylbut-2-yn-1-amine has a molecular weight of 277.41 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4,4-diphenylbut-2-yn-1-amine is sourced from PubChem (CID 1415531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).