N,N-diethyl-4-phenylbut-3-yn-2-amine

C14H19N — CID 3146070

IUPACN,N-diethyl-4-phenylbut-3-yn-2-amine
SMILESCCN(CC)C(C)C#Cc1ccccc1
InChIInChI=1S/C14H19N/c1-4-15(5-2)13(3)11-12-14-9-7-6-8-10-14/h6-10,13H,4-5H2,1-3H3
InChIKeyCKZLTELEGHRENY-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.77
Rot. Bonds3

About N,N-diethyl-4-phenylbut-3-yn-2-amine

N,N-diethyl-4-phenylbut-3-yn-2-amine (PubChem CID 3146070) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is N,N-diethyl-4-phenylbut-3-yn-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4-phenylbut-3-yn-2-amine
PubChem CID3146070
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC NameN,N-diethyl-4-phenylbut-3-yn-2-amine
SMILESCCN(CC)C(C)C#Cc1ccccc1
InChIInChI=1S/C14H19N/c1-4-15(5-2)13(3)11-12-14-9-7-6-8-10-14/h6-10,13H,4-5H2,1-3H3
InChIKeyCKZLTELEGHRENY-UHFFFAOYSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.77
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-diethyl-1,4-diphenylbut-3-yn-2-amine
CID 23239570
N,N-diethyl-1-phenylhex-5-en-1-yn-3-amine
CID 4266736
4-phenylbut-3-yn-2-amine;hydrochloride
CID 146445428
[(3S)-3-bromobut-1-ynyl]benzene
CID 99864815
4-methylpent-1-ynylbenzene
CID 12861410
(3-ethoxy-5-phenylpenta-1,4-diynyl)benzene
CID 10730067
N,N-dibenzyl-4-ethyl-1-phenylhex-1-yn-3-amine
CID 102105141
(2S,3R)-5-phenylpent-4-yne-2,3-diol
CID 130992150
3-fluorohex-1-ynylbenzene
CID 135044273
3-dodecylsulfanylbut-1-ynylbenzene
CID 135016817
1,3-diphenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine
CID 101346242
3-ethyl-5-phenylpent-4-ynenitrile
CID 15355077

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-phenylbut-3-yn-2-amine?
The IUPAC name of N,N-diethyl-4-phenylbut-3-yn-2-amine (CID 3146070) is N,N-diethyl-4-phenylbut-3-yn-2-amine.
What is the SMILES notation for N,N-diethyl-4-phenylbut-3-yn-2-amine?
The canonical SMILES for N,N-diethyl-4-phenylbut-3-yn-2-amine is CCN(CC)C(C)C#Cc1ccccc1.
What is the InChIKey of N,N-diethyl-4-phenylbut-3-yn-2-amine?
The InChIKey is CKZLTELEGHRENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-4-15(5-2)13(3)11-12-14-9-7-6-8-10-14/h6-10,13H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-4-phenylbut-3-yn-2-amine?
N,N-diethyl-4-phenylbut-3-yn-2-amine has a molecular weight of 201.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-phenylbut-3-yn-2-amine is sourced from PubChem (CID 3146070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).