N-ethyl-4-methyl-6-thiophen-2-ylhex-3-en-1-amine

C13H21NS — CID 79598190

IUPACN-ethyl-4-methyl-6-thiophen-2-ylhex-3-en-1-amine
SMILESCCNCCC=C(C)CCc1cccs1
InChIInChI=1S/C13H21NS/c1-3-14-10-4-6-12(2)8-9-13-7-5-11-15-13/h5-7,11,14H,3-4,8-10H2,1-2H3
InChIKeyHCTOMCZZBBXGES-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.63
Rot. Bonds7

About N-ethyl-4-methyl-6-thiophen-2-ylhex-3-en-1-amine

N-ethyl-4-methyl-6-thiophen-2-ylhex-3-en-1-amine (PubChem CID 79598190) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is N-ethyl-4-methyl-6-thiophen-2-ylhex-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-6-thiophen-2-ylhex-3-en-1-amine
PubChem CID79598190
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC NameN-ethyl-4-methyl-6-thiophen-2-ylhex-3-en-1-amine
SMILESCCNCCC=C(C)CCc1cccs1
InChIInChI=1S/C13H21NS/c1-3-14-10-4-6-12(2)8-9-13-7-5-11-15-13/h5-7,11,14H,3-4,8-10H2,1-2H3
InChIKeyHCTOMCZZBBXGES-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-6-thiophen-2-ylhex-3-en-1-amine?
The IUPAC name of N-ethyl-4-methyl-6-thiophen-2-ylhex-3-en-1-amine (CID 79598190) is N-ethyl-4-methyl-6-thiophen-2-ylhex-3-en-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-6-thiophen-2-ylhex-3-en-1-amine?
The canonical SMILES for N-ethyl-4-methyl-6-thiophen-2-ylhex-3-en-1-amine is CCNCCC=C(C)CCc1cccs1.
What is the InChIKey of N-ethyl-4-methyl-6-thiophen-2-ylhex-3-en-1-amine?
The InChIKey is HCTOMCZZBBXGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-3-14-10-4-6-12(2)8-9-13-7-5-11-15-13/h5-7,11,14H,3-4,8-10H2,1-2H3.
What are the key properties of N-ethyl-4-methyl-6-thiophen-2-ylhex-3-en-1-amine?
N-ethyl-4-methyl-6-thiophen-2-ylhex-3-en-1-amine has a molecular weight of 223.38 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-6-thiophen-2-ylhex-3-en-1-amine is sourced from PubChem (CID 79598190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).