N,N-diethyl-1,4-diphenylbut-3-yn-2-amine

C20H23N — CID 23239570

IUPACN,N-diethyl-1,4-diphenylbut-3-yn-2-amine
SMILESCCN(CC)C(C#Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H23N/c1-3-21(4-2)20(17-19-13-9-6-10-14-19)16-15-18-11-7-5-8-12-18/h5-14,20H,3-4,17H2,1-2H3
InChIKeyBZTRFLMDWACFTI-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.99
Rot. Bonds5

About N,N-diethyl-1,4-diphenylbut-3-yn-2-amine

N,N-diethyl-1,4-diphenylbut-3-yn-2-amine (PubChem CID 23239570) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is N,N-diethyl-1,4-diphenylbut-3-yn-2-amine.

Molecular Properties

Compound NameN,N-diethyl-1,4-diphenylbut-3-yn-2-amine
PubChem CID23239570
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC NameN,N-diethyl-1,4-diphenylbut-3-yn-2-amine
SMILESCCN(CC)C(C#Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H23N/c1-3-21(4-2)20(17-19-13-9-6-10-14-19)16-15-18-11-7-5-8-12-18/h5-14,20H,3-4,17H2,1-2H3
InChIKeyBZTRFLMDWACFTI-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-diethyl-1,4-diphenylbut-3-yn-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-1-phenylhex-5-en-1-yn-3-amine
CID 4266736
N,N-diethyl-4-phenylbut-3-yn-2-amine
CID 3146070
N,N-diethyl-1-phenylpropan-2-amine
CID 521361
N,N-dibenzyl-4-ethyl-1-phenylhex-1-yn-3-amine
CID 102105141
N-benzyl-N-(1-phenylhept-1-yn-3-yl)hydroxylamine
CID 101462784
ethyl 2-(dibenzylamino)-4-phenylbut-3-ynoate
CID 86069558
N,N-diethyl-1,1,1-trifluoro-3-phenylpropan-2-amine
CID 101465412
(3S)-N-benzyl-1-phenyl-N-prop-2-enylhept-1-yn-3-amine
CID 15527138
1-benzyl-3-phenyl-1-(1-phenylhex-1-yn-3-yl)urea
CID 53388250
4-[2-[benzyl(ethyl)amino]propyl]aniline
CID 82255967
1-(1,4-diphenylbut-3-yn-2-yl)pyrrolidine
CID 100954727
N,N'-diethyl-N-[2-[ethyl-[(2R)-1-phenylpropan-2-yl]amino]ethyl]-N'-[(2R)-1-phenylpropan-2-yl]ethane-1,2-diamine
CID 59895630

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,4-diphenylbut-3-yn-2-amine?
The IUPAC name of N,N-diethyl-1,4-diphenylbut-3-yn-2-amine (CID 23239570) is N,N-diethyl-1,4-diphenylbut-3-yn-2-amine.
What is the SMILES notation for N,N-diethyl-1,4-diphenylbut-3-yn-2-amine?
The canonical SMILES for N,N-diethyl-1,4-diphenylbut-3-yn-2-amine is CCN(CC)C(C#Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-diethyl-1,4-diphenylbut-3-yn-2-amine?
The InChIKey is BZTRFLMDWACFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-3-21(4-2)20(17-19-13-9-6-10-14-19)16-15-18-11-7-5-8-12-18/h5-14,20H,3-4,17H2,1-2H3.
What are the key properties of N,N-diethyl-1,4-diphenylbut-3-yn-2-amine?
N,N-diethyl-1,4-diphenylbut-3-yn-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,4-diphenylbut-3-yn-2-amine is sourced from PubChem (CID 23239570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).