N-propyl-5-thiophen-2-ylpent-3-en-1-amine

C12H19NS — CID 79593415

IUPACN-propyl-5-thiophen-2-ylpent-3-en-1-amine
SMILESCCCNCCC=CCc1cccs1
InChIInChI=1S/C12H19NS/c1-2-9-13-10-5-3-4-7-12-8-6-11-14-12/h3-4,6,8,11,13H,2,5,7,9-10H2,1H3
InChIKeyGGKMRMMGYCMAKO-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.24
Rot. Bonds7

About N-propyl-5-thiophen-2-ylpent-3-en-1-amine

N-propyl-5-thiophen-2-ylpent-3-en-1-amine (PubChem CID 79593415) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N-propyl-5-thiophen-2-ylpent-3-en-1-amine.

Molecular Properties

Compound NameN-propyl-5-thiophen-2-ylpent-3-en-1-amine
PubChem CID79593415
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN-propyl-5-thiophen-2-ylpent-3-en-1-amine
SMILESCCCNCCC=CCc1cccs1
InChIInChI=1S/C12H19NS/c1-2-9-13-10-5-3-4-7-12-8-6-11-14-12/h3-4,6,8,11,13H,2,5,7,9-10H2,1H3
InChIKeyGGKMRMMGYCMAKO-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.24
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

N-(2-methoxyethyl)-5-thiophen-2-ylpent-3-en-1-amine
CID 79599821
5-(4-bromothiophen-2-yl)-N-propylpent-3-en-1-amine
CID 79592758
(E)-5-(2,6-difluorophenyl)-N-propylpent-3-en-1-amine
CID 114935075
5-(4-methylphenyl)-N-propylpent-3-en-1-amine
CID 79591599
(E)-5-(2,3-dichlorophenyl)-N-propylpent-3-en-1-amine
CID 107310959
2-(3-bromoprop-2-enyl)thiophene
CID 173138002
N'-methyl-N-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 79486499
N-butyl-4-thiophen-2-ylbutan-1-amine
CID 60984563
3-N-methyl-1-N-propyl-3-N-(1-thiophen-2-ylpropan-2-yl)butane-1,3-diamine
CID 79493690
2-ethyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 63774829
N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine
CID 63685883
N-butyl-5-thiophen-2-ylpentan-1-amine
CID 83980454

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-thiophen-2-ylpent-3-en-1-amine?
The IUPAC name of N-propyl-5-thiophen-2-ylpent-3-en-1-amine (CID 79593415) is N-propyl-5-thiophen-2-ylpent-3-en-1-amine.
What is the SMILES notation for N-propyl-5-thiophen-2-ylpent-3-en-1-amine?
The canonical SMILES for N-propyl-5-thiophen-2-ylpent-3-en-1-amine is CCCNCCC=CCc1cccs1.
What is the InChIKey of N-propyl-5-thiophen-2-ylpent-3-en-1-amine?
The InChIKey is GGKMRMMGYCMAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-2-9-13-10-5-3-4-7-12-8-6-11-14-12/h3-4,6,8,11,13H,2,5,7,9-10H2,1H3.
What are the key properties of N-propyl-5-thiophen-2-ylpent-3-en-1-amine?
N-propyl-5-thiophen-2-ylpent-3-en-1-amine has a molecular weight of 209.36 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-thiophen-2-ylpent-3-en-1-amine is sourced from PubChem (CID 79593415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).