(E)-N-(1-thiophen-3-ylpropan-2-yl)but-2-en-1-amine

C11H17NS — CID 107898855

IUPAC(E)-N-(1-thiophen-3-ylpropan-2-yl)but-2-en-1-amine
SMILESC/C=C/CNC(C)Cc1ccsc1
InChIInChI=1S/C11H17NS/c1-3-4-6-12-10(2)8-11-5-7-13-9-11/h3-5,7,9-10,12H,6,8H2,1-2H3/b4-3+
InChIKeyCKOAQQATTYFLMQ-ONEGZZNKSA-N
MW195.33 g/mol
LogP2.84
Rot. Bonds5

About (E)-N-(1-thiophen-3-ylpropan-2-yl)but-2-en-1-amine

(E)-N-(1-thiophen-3-ylpropan-2-yl)but-2-en-1-amine (PubChem CID 107898855) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is (E)-N-(1-thiophen-3-ylpropan-2-yl)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(1-thiophen-3-ylpropan-2-yl)but-2-en-1-amine
PubChem CID107898855
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name(E)-N-(1-thiophen-3-ylpropan-2-yl)but-2-en-1-amine
SMILESC/C=C/CNC(C)Cc1ccsc1
InChIInChI=1S/C11H17NS/c1-3-4-6-12-10(2)8-11-5-7-13-9-11/h3-5,7,9-10,12H,6,8H2,1-2H3/b4-3+
InChIKeyCKOAQQATTYFLMQ-ONEGZZNKSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-(1-thiophen-3-ylpropan-2-yl)but-2-en-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(2-fluoroethyl)-1-thiophen-3-ylpropan-2-amine
CID 80694035
3-methyl-N-(1-thiophen-3-ylpropan-2-yl)but-3-en-1-amine
CID 114472154
N-(1-thiophen-3-ylpropan-2-yl)formamide
CID 64992100
2,3-dichloro-N-(1-thiophen-3-ylpropan-2-yl)prop-2-en-1-amine
CID 79168411
N-[2-(3-methylbutoxy)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 54956098
N-methyl-N-propan-2-yl-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 54953332
N-[(4-ethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61223007
N'-methyl-N'-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)ethane-1,2-diamine
CID 115715971
6-(1-thiophen-3-ylpropan-2-ylamino)hexan-1-ol
CID 115906776
N-(1-thiophen-3-ylpropan-2-yl)hex-5-en-2-amine
CID 104581872
1-thiophen-3-yl-N-(thiophen-2-ylmethyl)propan-2-amine
CID 61222092
2-(1-thiophen-3-ylpropan-2-ylamino)propan-1-ol
CID 115724718

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-thiophen-3-ylpropan-2-yl)but-2-en-1-amine?
The IUPAC name of (E)-N-(1-thiophen-3-ylpropan-2-yl)but-2-en-1-amine (CID 107898855) is (E)-N-(1-thiophen-3-ylpropan-2-yl)but-2-en-1-amine.
What is the SMILES notation for (E)-N-(1-thiophen-3-ylpropan-2-yl)but-2-en-1-amine?
The canonical SMILES for (E)-N-(1-thiophen-3-ylpropan-2-yl)but-2-en-1-amine is C/C=C/CNC(C)Cc1ccsc1.
What is the InChIKey of (E)-N-(1-thiophen-3-ylpropan-2-yl)but-2-en-1-amine?
The InChIKey is CKOAQQATTYFLMQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H17NS/c1-3-4-6-12-10(2)8-11-5-7-13-9-11/h3-5,7,9-10,12H,6,8H2,1-2H3/b4-3+.
What are the key properties of (E)-N-(1-thiophen-3-ylpropan-2-yl)but-2-en-1-amine?
(E)-N-(1-thiophen-3-ylpropan-2-yl)but-2-en-1-amine has a molecular weight of 195.33 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-thiophen-3-ylpropan-2-yl)but-2-en-1-amine is sourced from PubChem (CID 107898855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).