(E)-4-(methoxymethyl)-6-thiophen-3-ylhex-4-en-1-amine

C12H19NOS — CID 103392141

IUPAC(E)-4-(methoxymethyl)-6-thiophen-3-ylhex-4-en-1-amine
SMILESCOC/C(=C/Cc1ccsc1)CCCN
InChIInChI=1S/C12H19NOS/c1-14-9-11(3-2-7-13)4-5-12-6-8-15-10-12/h4,6,8,10H,2-3,5,7,9,13H2,1H3/b11-4+
InChIKeyKTUWLHJRUXLYQQ-NYYWCZLTSA-N
MW225.36 g/mol
LogP2.60
Rot. Bonds7

About (E)-4-(methoxymethyl)-6-thiophen-3-ylhex-4-en-1-amine

(E)-4-(methoxymethyl)-6-thiophen-3-ylhex-4-en-1-amine (PubChem CID 103392141) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is (E)-4-(methoxymethyl)-6-thiophen-3-ylhex-4-en-1-amine.

Molecular Properties

Compound Name(E)-4-(methoxymethyl)-6-thiophen-3-ylhex-4-en-1-amine
PubChem CID103392141
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name(E)-4-(methoxymethyl)-6-thiophen-3-ylhex-4-en-1-amine
SMILESCOC/C(=C/Cc1ccsc1)CCCN
InChIInChI=1S/C12H19NOS/c1-14-9-11(3-2-7-13)4-5-12-6-8-15-10-12/h4,6,8,10H,2-3,5,7,9,13H2,1H3/b11-4+
InChIKeyKTUWLHJRUXLYQQ-NYYWCZLTSA-N
XLogP2.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(methoxymethyl)-6-methylhept-4-en-1-amine
CID 103392068
(E)-5-(4-fluorophenyl)-4-(methoxymethyl)pent-4-en-1-amine
CID 103392108
7-amino-N-(thiophen-3-ylmethyl)heptanamide
CID 63246456
1-O-ethyl 4-O-(2-methoxyethyl) (2E)-2-(2-thiophen-3-ylethylidene)butanedioate
CID 53494622
7-amino-N-(2-thiophen-3-ylethyl)heptanamide
CID 54953945
6-amino-3-methyl-1-thiophen-3-ylhexan-2-one
CID 116613568
2-(thiophen-3-ylmethoxy)ethanamine
CID 62343609
3-(4-methoxypent-3-enyl)thiophene
CID 163190308
ethane;3-(4-methylpent-4-enyl)thiophene
CID 145466682
thiophen-3-ylmethanamine;dihydrochloride
CID 21114568
1-(2-aminoethoxy)-4-thiophen-3-ylbutan-2-one
CID 116590981
methyl (2R)-2-amino-2-methyl-3-thiophen-3-ylpropanoate
CID 164676208

Frequently Asked Questions

What is the IUPAC name of (E)-4-(methoxymethyl)-6-thiophen-3-ylhex-4-en-1-amine?
The IUPAC name of (E)-4-(methoxymethyl)-6-thiophen-3-ylhex-4-en-1-amine (CID 103392141) is (E)-4-(methoxymethyl)-6-thiophen-3-ylhex-4-en-1-amine.
What is the SMILES notation for (E)-4-(methoxymethyl)-6-thiophen-3-ylhex-4-en-1-amine?
The canonical SMILES for (E)-4-(methoxymethyl)-6-thiophen-3-ylhex-4-en-1-amine is COC/C(=C/Cc1ccsc1)CCCN.
What is the InChIKey of (E)-4-(methoxymethyl)-6-thiophen-3-ylhex-4-en-1-amine?
The InChIKey is KTUWLHJRUXLYQQ-NYYWCZLTSA-N. The full InChI is InChI=1S/C12H19NOS/c1-14-9-11(3-2-7-13)4-5-12-6-8-15-10-12/h4,6,8,10H,2-3,5,7,9,13H2,1H3/b11-4+.
What are the key properties of (E)-4-(methoxymethyl)-6-thiophen-3-ylhex-4-en-1-amine?
(E)-4-(methoxymethyl)-6-thiophen-3-ylhex-4-en-1-amine has a molecular weight of 225.36 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(methoxymethyl)-6-thiophen-3-ylhex-4-en-1-amine is sourced from PubChem (CID 103392141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).