(E)-N-(1-thiophen-2-ylethyl)pent-3-en-1-amine

C11H17NS — CID 115890198

IUPAC(E)-N-(1-thiophen-2-ylethyl)pent-3-en-1-amine
SMILESC/C=C/CCNC(C)c1cccs1
InChIInChI=1S/C11H17NS/c1-3-4-5-8-12-10(2)11-7-6-9-13-11/h3-4,6-7,9-10,12H,5,8H2,1-2H3/b4-3+
InChIKeyQBQXPARNJLGIAN-ONEGZZNKSA-N
MW195.33 g/mol
LogP3.36
Rot. Bonds5

About (E)-N-(1-thiophen-2-ylethyl)pent-3-en-1-amine

(E)-N-(1-thiophen-2-ylethyl)pent-3-en-1-amine (PubChem CID 115890198) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is (E)-N-(1-thiophen-2-ylethyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-(1-thiophen-2-ylethyl)pent-3-en-1-amine
PubChem CID115890198
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name(E)-N-(1-thiophen-2-ylethyl)pent-3-en-1-amine
SMILESC/C=C/CCNC(C)c1cccs1
InChIInChI=1S/C11H17NS/c1-3-4-5-8-12-10(2)11-7-6-9-13-11/h3-4,6-7,9-10,12H,5,8H2,1-2H3/b4-3+
InChIKeyQBQXPARNJLGIAN-ONEGZZNKSA-N
XLogP3.36
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 ≤ 53.36
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

(E)-N-(1-thiophen-2-ylpropan-2-yl)pent-3-en-1-amine
CID 115890239
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
(E)-N-[1-(3-methylthiophen-2-yl)ethyl]pent-3-en-1-amine
CID 115890210
3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81408503
3,3-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398667
4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine
CID 83156028
N-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine
CID 81398404
N-[(1R)-1-thiophen-2-ylethyl]but-3-yn-1-amine
CID 81408577
5-[[(1S)-1-thiophen-2-ylethyl]amino]pentan-1-ol
CID 81408361
4-[[(1R)-1-thiophen-2-ylethyl]amino]butanenitrile
CID 81407892
methyl 4-(1-thiophen-2-ylethylamino)butanoate
CID 43534511
(1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine
CID 106452323

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-thiophen-2-ylethyl)pent-3-en-1-amine?
The IUPAC name of (E)-N-(1-thiophen-2-ylethyl)pent-3-en-1-amine (CID 115890198) is (E)-N-(1-thiophen-2-ylethyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-N-(1-thiophen-2-ylethyl)pent-3-en-1-amine?
The canonical SMILES for (E)-N-(1-thiophen-2-ylethyl)pent-3-en-1-amine is C/C=C/CCNC(C)c1cccs1.
What is the InChIKey of (E)-N-(1-thiophen-2-ylethyl)pent-3-en-1-amine?
The InChIKey is QBQXPARNJLGIAN-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H17NS/c1-3-4-5-8-12-10(2)11-7-6-9-13-11/h3-4,6-7,9-10,12H,5,8H2,1-2H3/b4-3+.
What are the key properties of (E)-N-(1-thiophen-2-ylethyl)pent-3-en-1-amine?
(E)-N-(1-thiophen-2-ylethyl)pent-3-en-1-amine has a molecular weight of 195.33 g/mol, XLogP of 3.36, 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-2-ylethyl)pent-3-en-1-amine is sourced from PubChem (CID 115890198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).