2-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]oxolan-3-amine

C12H19NOS — CID 115336297

IUPAC2-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]oxolan-3-amine
SMILESCc1ccc(C(C)NC2CCOC2C)s1
InChIInChI=1S/C12H19NOS/c1-8-4-5-12(15-8)9(2)13-11-6-7-14-10(11)3/h4-5,9-11,13H,6-7H2,1-3H3
InChIKeyJVOCZYNCKROWKC-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.88
Rot. Bonds3

About 2-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]oxolan-3-amine

2-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]oxolan-3-amine (PubChem CID 115336297) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]oxolan-3-amine
PubChem CID115336297
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]oxolan-3-amine
SMILESCc1ccc(C(C)NC2CCOC2C)s1
InChIInChI=1S/C12H19NOS/c1-8-4-5-12(15-8)9(2)13-11-6-7-14-10(11)3/h4-5,9-11,13H,6-7H2,1-3H3
InChIKeyJVOCZYNCKROWKC-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyloxolan-3-amine
CID 82725149
trans-(1S,2S)-2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentan-1-ol
CID 102733244
N-[(1S)-1-(furan-2-yl)ethyl]-2-methyloxolan-3-amine
CID 82718277
2-tert-butyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexan-1-amine
CID 43673911
2-methyl-N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]oxolan-3-amine
CID 82726466
2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentane-1-carbonitrile
CID 62743330
N-[1-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335540
N-[1-(4-iodophenyl)ethyl]-2-methyloxolan-3-amine
CID 82725741
2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxolan-3-amine
CID 82725548
N-[1-(2,5-dimethylphenyl)ethyl]-2-methyloxolan-3-amine
CID 113289535
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyloxolan-3-amine
CID 115335705
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropyloxolan-3-amine
CID 113349300

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]oxolan-3-amine?
The IUPAC name of 2-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]oxolan-3-amine (CID 115336297) is 2-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]oxolan-3-amine?
The canonical SMILES for 2-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]oxolan-3-amine is Cc1ccc(C(C)NC2CCOC2C)s1.
What is the InChIKey of 2-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]oxolan-3-amine?
The InChIKey is JVOCZYNCKROWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-8-4-5-12(15-8)9(2)13-11-6-7-14-10(11)3/h4-5,9-11,13H,6-7H2,1-3H3.
What are the key properties of 2-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]oxolan-3-amine?
2-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]oxolan-3-amine has a molecular weight of 225.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]oxolan-3-amine is sourced from PubChem (CID 115336297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).