2,2-diethyl-N-propyl-4-thiophen-2-ylbutan-1-amine

C15H27NS — CID 63773575

IUPAC2,2-diethyl-N-propyl-4-thiophen-2-ylbutan-1-amine
SMILESCCCNCC(CC)(CC)CCc1cccs1
InChIInChI=1S/C15H27NS/c1-4-11-16-13-15(5-2,6-3)10-9-14-8-7-12-17-14/h7-8,12,16H,4-6,9-11,13H2,1-3H3
InChIKeyWQWGLKHMLNATSB-UHFFFAOYSA-N
MW253.45 g/mol
LogP4.49
Rot. Bonds9

About 2,2-diethyl-N-propyl-4-thiophen-2-ylbutan-1-amine

2,2-diethyl-N-propyl-4-thiophen-2-ylbutan-1-amine (PubChem CID 63773575) has the molecular formula C15H27NS and a molecular weight of 253.45 g/mol. Its IUPAC name is 2,2-diethyl-N-propyl-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-N-propyl-4-thiophen-2-ylbutan-1-amine
PubChem CID63773575
Molecular FormulaC15H27NS
Molecular Weight253.45 g/mol
Exact Mass253.19
IUPAC Name2,2-diethyl-N-propyl-4-thiophen-2-ylbutan-1-amine
SMILESCCCNCC(CC)(CC)CCc1cccs1
InChIInChI=1S/C15H27NS/c1-4-11-16-13-15(5-2,6-3)10-9-14-8-7-12-17-14/h7-8,12,16H,4-6,9-11,13H2,1-3H3
InChIKeyWQWGLKHMLNATSB-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-diethyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
CID 63773755
2-ethyl-N-methyl-2-(2-thiophen-2-ylethyl)hexan-1-amine
CID 63773571
2-cyclopropyl-2-methyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 83159233
2-ethyl-N,2-dimethyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62256448
N-[[2-(2-thiophen-2-ylethyl)cyclobutyl]methyl]propan-1-amine
CID 81017720
N,2-diethyl-2-methyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62259654
4-(2-thiophen-2-ylethyl)heptan-4-ol
CID 114865888
N-ethyl-2,2-dimethyl-4-thiophen-2-ylbutan-1-amine
CID 63774462
2,2-diethyl-5-phenyl-N-propylpentan-1-amine
CID 63509322
2,2-dimethyl-N-propan-2-yl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62258945
2-ethyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 63774829
2-ethyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)hexan-1-amine
CID 55197007

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-propyl-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 2,2-diethyl-N-propyl-4-thiophen-2-ylbutan-1-amine (CID 63773575) is 2,2-diethyl-N-propyl-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 2,2-diethyl-N-propyl-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 2,2-diethyl-N-propyl-4-thiophen-2-ylbutan-1-amine is CCCNCC(CC)(CC)CCc1cccs1.
What is the InChIKey of 2,2-diethyl-N-propyl-4-thiophen-2-ylbutan-1-amine?
The InChIKey is WQWGLKHMLNATSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NS/c1-4-11-16-13-15(5-2,6-3)10-9-14-8-7-12-17-14/h7-8,12,16H,4-6,9-11,13H2,1-3H3.
What are the key properties of 2,2-diethyl-N-propyl-4-thiophen-2-ylbutan-1-amine?
2,2-diethyl-N-propyl-4-thiophen-2-ylbutan-1-amine has a molecular weight of 253.45 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-propyl-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 63773575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).