N-(1-thiophen-2-ylbut-3-enyl)pent-4-en-2-amine

C13H19NS — CID 102574543

IUPACN-(1-thiophen-2-ylbut-3-enyl)pent-4-en-2-amine
SMILESC=CCC(C)NC(CC=C)c1cccs1
InChIInChI=1S/C13H19NS/c1-4-7-11(3)14-12(8-5-2)13-9-6-10-15-13/h4-6,9-12,14H,1-2,7-8H2,3H3
InChIKeyBGHCMFIUOAZWFG-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.92
Rot. Bonds7

About N-(1-thiophen-2-ylbut-3-enyl)pent-4-en-2-amine

N-(1-thiophen-2-ylbut-3-enyl)pent-4-en-2-amine (PubChem CID 102574543) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is N-(1-thiophen-2-ylbut-3-enyl)pent-4-en-2-amine.

Molecular Properties

Compound NameN-(1-thiophen-2-ylbut-3-enyl)pent-4-en-2-amine
PubChem CID102574543
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC NameN-(1-thiophen-2-ylbut-3-enyl)pent-4-en-2-amine
SMILESC=CCC(C)NC(CC=C)c1cccs1
InChIInChI=1S/C13H19NS/c1-4-7-11(3)14-12(8-5-2)13-9-6-10-15-13/h4-6,9-12,14H,1-2,7-8H2,3H3
InChIKeyBGHCMFIUOAZWFG-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pent-4-en-2-amine
CID 113466404
N-[1-(4-chlorophenyl)but-3-enyl]pent-4-en-2-amine
CID 102574540
N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine
CID 43783115
[(2R)-2-[[(2S)-2-methylpent-4-enoyl]amino]-2-thiophen-2-ylethyl] 2-methylpent-4-enoate
CID 118866998
N-(2-fluoro-1-thiophen-2-ylethyl)propan-2-amine
CID 83817718
5-methyl-N-(1-thiophen-2-ylbutyl)hexan-2-amine
CID 63456390
(2R)-2-(1,2-dithiophen-2-ylethylamino)propan-1-ol
CID 114986973
(3R)-3-[(3-methyl-1-thiophen-2-ylbutyl)amino]butan-1-ol
CID 103871621
1-cyclopropyl-N-(1,2-dithiophen-2-ylethyl)propan-2-amine
CID 63989311
N-(1,2-dithiophen-2-ylethyl)-1-methylsulfonylpropan-2-amine
CID 64629979
N-(1-thiophen-2-ylbutyl)nonan-2-amine
CID 63456215
2-propan-2-ylthiophene
CID 178128598

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylbut-3-enyl)pent-4-en-2-amine?
The IUPAC name of N-(1-thiophen-2-ylbut-3-enyl)pent-4-en-2-amine (CID 102574543) is N-(1-thiophen-2-ylbut-3-enyl)pent-4-en-2-amine.
What is the SMILES notation for N-(1-thiophen-2-ylbut-3-enyl)pent-4-en-2-amine?
The canonical SMILES for N-(1-thiophen-2-ylbut-3-enyl)pent-4-en-2-amine is C=CCC(C)NC(CC=C)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylbut-3-enyl)pent-4-en-2-amine?
The InChIKey is BGHCMFIUOAZWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-4-7-11(3)14-12(8-5-2)13-9-6-10-15-13/h4-6,9-12,14H,1-2,7-8H2,3H3.
What are the key properties of N-(1-thiophen-2-ylbut-3-enyl)pent-4-en-2-amine?
N-(1-thiophen-2-ylbut-3-enyl)pent-4-en-2-amine has a molecular weight of 221.37 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylbut-3-enyl)pent-4-en-2-amine is sourced from PubChem (CID 102574543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).