N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)but-2-yn-1-amine

C15H22N2OS — CID 75422289

IUPACN-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)but-2-yn-1-amine
SMILESCC#CCN(C)CC(c1cccs1)N1CCOCC1
InChIInChI=1S/C15H22N2OS/c1-3-4-7-16(2)13-14(15-6-5-12-19-15)17-8-10-18-11-9-17/h5-6,12,14H,7-11,13H2,1-2H3
InChIKeyHIYJMSZURQBHGJ-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.08
Rot. Bonds5

About N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)but-2-yn-1-amine

N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)but-2-yn-1-amine (PubChem CID 75422289) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)but-2-yn-1-amine.

Molecular Properties

Compound NameN-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)but-2-yn-1-amine
PubChem CID75422289
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)but-2-yn-1-amine
SMILESCC#CCN(C)CC(c1cccs1)N1CCOCC1
InChIInChI=1S/C15H22N2OS/c1-3-4-7-16(2)13-14(15-6-5-12-19-15)17-8-10-18-11-9-17/h5-6,12,14H,7-11,13H2,1-2H3
InChIKeyHIYJMSZURQBHGJ-UHFFFAOYSA-N
XLogP2.08
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)but-2-yn-1-amine?
The IUPAC name of N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)but-2-yn-1-amine (CID 75422289) is N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)but-2-yn-1-amine.
What is the SMILES notation for N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)but-2-yn-1-amine?
The canonical SMILES for N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)but-2-yn-1-amine is CC#CCN(C)CC(c1cccs1)N1CCOCC1.
What is the InChIKey of N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)but-2-yn-1-amine?
The InChIKey is HIYJMSZURQBHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-3-4-7-16(2)13-14(15-6-5-12-19-15)17-8-10-18-11-9-17/h5-6,12,14H,7-11,13H2,1-2H3.
What are the key properties of N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)but-2-yn-1-amine?
N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)but-2-yn-1-amine has a molecular weight of 278.42 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)but-2-yn-1-amine is sourced from PubChem (CID 75422289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).