1-(5-methylthiophen-2-yl)-N-propylpent-4-en-1-amine

C13H21NS — CID 104987443

IUPAC1-(5-methylthiophen-2-yl)-N-propylpent-4-en-1-amine
SMILESC=CCCC(NCCC)c1ccc(C)s1
InChIInChI=1S/C13H21NS/c1-4-6-7-12(14-10-5-2)13-9-8-11(3)15-13/h4,8-9,12,14H,1,5-7,10H2,2-3H3
InChIKeyUGZFSKAHAMHELP-UHFFFAOYSA-N
MW223.38 g/mol
LogP4.06
Rot. Bonds7

About 1-(5-methylthiophen-2-yl)-N-propylpent-4-en-1-amine

1-(5-methylthiophen-2-yl)-N-propylpent-4-en-1-amine (PubChem CID 104987443) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-N-propylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-N-propylpent-4-en-1-amine
PubChem CID104987443
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name1-(5-methylthiophen-2-yl)-N-propylpent-4-en-1-amine
SMILESC=CCCC(NCCC)c1ccc(C)s1
InChIInChI=1S/C13H21NS/c1-4-6-7-12(14-10-5-2)13-9-8-11(3)15-13/h4,8-9,12,14H,1,5-7,10H2,2-3H3
InChIKeyUGZFSKAHAMHELP-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 54.06
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

1-(5-chlorothiophen-2-yl)-N-propylhex-5-en-1-amine
CID 104986628
1-(5-chlorothiophen-2-yl)-N-propyloct-7-en-1-amine
CID 107011929
1-(5-chlorothiophen-2-yl)-N-ethylpent-4-en-1-amine
CID 104987378
3-(3-methylphenyl)-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine
CID 105162164
N-[2-(5-ethylthiophen-2-yl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115842479
N-[2-(furan-2-yl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 105029308
1-(4-methyl-3-pyridinyl)-N-propylpent-4-en-1-amine
CID 114878598
N-[1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103207354
1-(5-ethylthiophen-2-yl)-N-propylbutan-1-amine
CID 43494311
N-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 105003495
N-[2-(5-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 66459653
N-methyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 43480384

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-N-propylpent-4-en-1-amine?
The IUPAC name of 1-(5-methylthiophen-2-yl)-N-propylpent-4-en-1-amine (CID 104987443) is 1-(5-methylthiophen-2-yl)-N-propylpent-4-en-1-amine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-N-propylpent-4-en-1-amine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-N-propylpent-4-en-1-amine is C=CCCC(NCCC)c1ccc(C)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-N-propylpent-4-en-1-amine?
The InChIKey is UGZFSKAHAMHELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-4-6-7-12(14-10-5-2)13-9-8-11(3)15-13/h4,8-9,12,14H,1,5-7,10H2,2-3H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-N-propylpent-4-en-1-amine?
1-(5-methylthiophen-2-yl)-N-propylpent-4-en-1-amine has a molecular weight of 223.38 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-N-propylpent-4-en-1-amine is sourced from PubChem (CID 104987443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).