2-methyl-N-propyl-2-(2-thiophen-3-ylethyl)but-3-en-1-amine

C14H23NS — CID 102640854

IUPAC2-methyl-N-propyl-2-(2-thiophen-3-ylethyl)but-3-en-1-amine
SMILESC=CC(C)(CCc1ccsc1)CNCCC
InChIInChI=1S/C14H23NS/c1-4-9-15-12-14(3,5-2)8-6-13-7-10-16-11-13/h5,7,10-11,15H,2,4,6,8-9,12H2,1,3H3
InChIKeyZTLZRQZUSUJDJQ-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.87
Rot. Bonds8

About 2-methyl-N-propyl-2-(2-thiophen-3-ylethyl)but-3-en-1-amine

2-methyl-N-propyl-2-(2-thiophen-3-ylethyl)but-3-en-1-amine (PubChem CID 102640854) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 2-methyl-N-propyl-2-(2-thiophen-3-ylethyl)but-3-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-2-(2-thiophen-3-ylethyl)but-3-en-1-amine
PubChem CID102640854
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name2-methyl-N-propyl-2-(2-thiophen-3-ylethyl)but-3-en-1-amine
SMILESC=CC(C)(CCc1ccsc1)CNCCC
InChIInChI=1S/C14H23NS/c1-4-9-15-12-14(3,5-2)8-6-13-7-10-16-11-13/h5,7,10-11,15H,2,4,6,8-9,12H2,1,3H3
InChIKeyZTLZRQZUSUJDJQ-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(propylamino)-4-thiophen-3-ylbutan-2-ol
CID 66038426
3-[3-(bromomethyl)-3-methylpent-4-enyl]thiophene
CID 102642270
3,3-dimethyl-N-propyl-5-thiophen-3-ylpentan-1-amine
CID 81022227
2-methyl-1-(propylamino)-3-thiophen-3-ylpropan-2-ol
CID 66037007
N,2-dimethyl-2-(thiophen-3-ylmethyl)but-3-en-1-amine
CID 102640556
3,3-dimethyl-N-propyl-2-(2-thiophen-3-ylethyl)butan-1-amine
CID 83139408
azane;3-propylthiophene
CID 174446539
3,3-dimethyl-4-(2-thiophen-3-ylethylamino)butan-1-ol
CID 106146521
2,2-dimethyl-3-(2-thiophen-3-ylethylamino)propan-1-ol
CID 81410840
N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
2-methyl-1-(propan-2-ylamino)-4-thiophen-3-ylbutan-2-ol
CID 66038197
2-phenyl-N-propyl-2-(thiophen-3-ylmethyl)butan-1-amine
CID 63507962

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-2-(2-thiophen-3-ylethyl)but-3-en-1-amine?
The IUPAC name of 2-methyl-N-propyl-2-(2-thiophen-3-ylethyl)but-3-en-1-amine (CID 102640854) is 2-methyl-N-propyl-2-(2-thiophen-3-ylethyl)but-3-en-1-amine.
What is the SMILES notation for 2-methyl-N-propyl-2-(2-thiophen-3-ylethyl)but-3-en-1-amine?
The canonical SMILES for 2-methyl-N-propyl-2-(2-thiophen-3-ylethyl)but-3-en-1-amine is C=CC(C)(CCc1ccsc1)CNCCC.
What is the InChIKey of 2-methyl-N-propyl-2-(2-thiophen-3-ylethyl)but-3-en-1-amine?
The InChIKey is ZTLZRQZUSUJDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-4-9-15-12-14(3,5-2)8-6-13-7-10-16-11-13/h5,7,10-11,15H,2,4,6,8-9,12H2,1,3H3.
What are the key properties of 2-methyl-N-propyl-2-(2-thiophen-3-ylethyl)but-3-en-1-amine?
2-methyl-N-propyl-2-(2-thiophen-3-ylethyl)but-3-en-1-amine has a molecular weight of 237.41 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-2-(2-thiophen-3-ylethyl)but-3-en-1-amine is sourced from PubChem (CID 102640854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).