N-[2-(2,5-dimethylthiophen-3-yl)ethyl]hex-5-en-2-amine

C14H23NS — CID 104582453

IUPACN-[2-(2,5-dimethylthiophen-3-yl)ethyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCCc1cc(C)sc1C
InChIInChI=1S/C14H23NS/c1-5-6-7-11(2)15-9-8-14-10-12(3)16-13(14)4/h5,10-11,15H,1,6-9H2,2-4H3
InChIKeyPVTUVDMEPHTIMB-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.85
Rot. Bonds7

About N-[2-(2,5-dimethylthiophen-3-yl)ethyl]hex-5-en-2-amine

N-[2-(2,5-dimethylthiophen-3-yl)ethyl]hex-5-en-2-amine (PubChem CID 104582453) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-[2-(2,5-dimethylthiophen-3-yl)ethyl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-[2-(2,5-dimethylthiophen-3-yl)ethyl]hex-5-en-2-amine
PubChem CID104582453
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-[2-(2,5-dimethylthiophen-3-yl)ethyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCCc1cc(C)sc1C
InChIInChI=1S/C14H23NS/c1-5-6-7-11(2)15-9-8-14-10-12(3)16-13(14)4/h5,10-11,15H,1,6-9H2,2-4H3
InChIKeyPVTUVDMEPHTIMB-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.85
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

Methiopropamine
CID 436156
2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
Methiopropamine (N-methyl-1-(thiophen-2-yl)propan-2-amine)
CID 458582
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
7-methyl-4H,5H,6H,7H-thieno(2,3-c)pyridine
CID 14548169
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
4-ethyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485296
N-benzyl(5-methyl-2-thienyl)methanamine
CID 4721388
N-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-6-amine
CID 156020669
2-(4-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817787
Cyclohexyl-(5-methyl-thiophen-2-ylmethyl)-amine
CID 17295952
2-Thiophenemethanamine, N-ethyl-alpha-(phenylmethyl)-, hydrochloride (1:1)
CID 3061989

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylthiophen-3-yl)ethyl]hex-5-en-2-amine?
The IUPAC name of N-[2-(2,5-dimethylthiophen-3-yl)ethyl]hex-5-en-2-amine (CID 104582453) is N-[2-(2,5-dimethylthiophen-3-yl)ethyl]hex-5-en-2-amine.
What is the SMILES notation for N-[2-(2,5-dimethylthiophen-3-yl)ethyl]hex-5-en-2-amine?
The canonical SMILES for N-[2-(2,5-dimethylthiophen-3-yl)ethyl]hex-5-en-2-amine is C=CCCC(C)NCCc1cc(C)sc1C.
What is the InChIKey of N-[2-(2,5-dimethylthiophen-3-yl)ethyl]hex-5-en-2-amine?
The InChIKey is PVTUVDMEPHTIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-5-6-7-11(2)15-9-8-14-10-12(3)16-13(14)4/h5,10-11,15H,1,6-9H2,2-4H3.
What are the key properties of N-[2-(2,5-dimethylthiophen-3-yl)ethyl]hex-5-en-2-amine?
N-[2-(2,5-dimethylthiophen-3-yl)ethyl]hex-5-en-2-amine has a molecular weight of 237.41 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylthiophen-3-yl)ethyl]hex-5-en-2-amine is sourced from PubChem (CID 104582453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).