[5-methyl-4-(pentoxymethyl)thiophen-2-yl]methanamine

C12H21NOS — CID 80729173

IUPAC[5-methyl-4-(pentoxymethyl)thiophen-2-yl]methanamine
SMILESCCCCCOCc1cc(CN)sc1C
InChIInChI=1S/C12H21NOS/c1-3-4-5-6-14-9-11-7-12(8-13)15-10(11)2/h7H,3-6,8-9,13H2,1-2H3
InChIKeyUHAHNAORIYMXDH-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.22
Rot. Bonds7

About [5-methyl-4-(pentoxymethyl)thiophen-2-yl]methanamine

[5-methyl-4-(pentoxymethyl)thiophen-2-yl]methanamine (PubChem CID 80729173) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is [5-methyl-4-(pentoxymethyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-(pentoxymethyl)thiophen-2-yl]methanamine
PubChem CID80729173
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name[5-methyl-4-(pentoxymethyl)thiophen-2-yl]methanamine
SMILESCCCCCOCc1cc(CN)sc1C
InChIInChI=1S/C12H21NOS/c1-3-4-5-6-14-9-11-7-12(8-13)15-10(11)2/h7H,3-6,8-9,13H2,1-2H3
InChIKeyUHAHNAORIYMXDH-UHFFFAOYSA-N
XLogP3.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-methoxypropoxymethyl)-5-methylthiophen-2-yl]methanamine
CID 80729691
3-[[5-(aminomethyl)-2-methylthiophen-3-yl]methoxy]-N,N-dimethylpropan-1-amine
CID 80728700
2-methyl-N-[[5-methyl-4-(pentoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 80729172
N-[[5-methyl-4-(octoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 80719995
[5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methanamine
CID 80729712
[4-(2,2-difluoroethoxymethyl)-5-methylthiophen-2-yl]methanamine
CID 82006292
[5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methanamine
CID 80729917
2,5-bis(octoxymethyl)benzene-1,4-diamine
CID 100995766
2,5-dimethyl-3-(propoxymethyl)thiophene
CID 174163703
N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 80734057
3-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methoxy]-N,N-dimethylpropan-1-amine
CID 80729188
2-methyl-N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 80733906

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(pentoxymethyl)thiophen-2-yl]methanamine?
The IUPAC name of [5-methyl-4-(pentoxymethyl)thiophen-2-yl]methanamine (CID 80729173) is [5-methyl-4-(pentoxymethyl)thiophen-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-(pentoxymethyl)thiophen-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-(pentoxymethyl)thiophen-2-yl]methanamine is CCCCCOCc1cc(CN)sc1C.
What is the InChIKey of [5-methyl-4-(pentoxymethyl)thiophen-2-yl]methanamine?
The InChIKey is UHAHNAORIYMXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-3-4-5-6-14-9-11-7-12(8-13)15-10(11)2/h7H,3-6,8-9,13H2,1-2H3.
What are the key properties of [5-methyl-4-(pentoxymethyl)thiophen-2-yl]methanamine?
[5-methyl-4-(pentoxymethyl)thiophen-2-yl]methanamine has a molecular weight of 227.37 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(pentoxymethyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 80729173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).