N-(oxan-2-ylmethyl)-2-thiophen-3-ylethanamine

C12H19NOS — CID 60976116

IUPACN-(oxan-2-ylmethyl)-2-thiophen-3-ylethanamine
SMILESc1cc(CCNCC2CCCCO2)cs1
InChIInChI=1S/C12H19NOS/c1-2-7-14-12(3-1)9-13-6-4-11-5-8-15-10-11/h5,8,10,12-13H,1-4,6-7,9H2
InChIKeyWWQIXNKBKSWSEY-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.45
Rot. Bonds5

About N-(oxan-2-ylmethyl)-2-thiophen-3-ylethanamine

N-(oxan-2-ylmethyl)-2-thiophen-3-ylethanamine (PubChem CID 60976116) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-(oxan-2-ylmethyl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-(oxan-2-ylmethyl)-2-thiophen-3-ylethanamine
PubChem CID60976116
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-(oxan-2-ylmethyl)-2-thiophen-3-ylethanamine
SMILESc1cc(CCNCC2CCCCO2)cs1
InChIInChI=1S/C12H19NOS/c1-2-7-14-12(3-1)9-13-6-4-11-5-8-15-10-11/h5,8,10,12-13H,1-4,6-7,9H2
InChIKeyWWQIXNKBKSWSEY-UHFFFAOYSA-N
XLogP2.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.45
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

2-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 54797397
1-(oxan-2-yl)-N-propyl-5-thiophen-3-ylpentan-3-amine
CID 115857206
N-(oxolan-2-ylmethyl)-1-thiophen-3-ylpropan-2-amine
CID 61474165
N-ethyl-1-(oxan-2-yl)-5-thiophen-3-ylpentan-3-amine
CID 115856805
N-(oxolan-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 82835172
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 55014332
2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride
CID 2904909
2-[[(2S)-oxan-2-yl]methoxy]-N-(thiophen-3-ylmethyl)acetamide
CID 124854548
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
2-[2-(oxan-2-ylmethylamino)ethyl]benzoic acid
CID 113425613
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-3-ylethanamine
CID 66391231
3-[3-(oxan-2-ylmethylamino)propyl]aniline
CID 115341975

Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-ylmethyl)-2-thiophen-3-ylethanamine?
The IUPAC name of N-(oxan-2-ylmethyl)-2-thiophen-3-ylethanamine (CID 60976116) is N-(oxan-2-ylmethyl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-(oxan-2-ylmethyl)-2-thiophen-3-ylethanamine?
The canonical SMILES for N-(oxan-2-ylmethyl)-2-thiophen-3-ylethanamine is c1cc(CCNCC2CCCCO2)cs1.
What is the InChIKey of N-(oxan-2-ylmethyl)-2-thiophen-3-ylethanamine?
The InChIKey is WWQIXNKBKSWSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-2-7-14-12(3-1)9-13-6-4-11-5-8-15-10-11/h5,8,10,12-13H,1-4,6-7,9H2.
What are the key properties of N-(oxan-2-ylmethyl)-2-thiophen-3-ylethanamine?
N-(oxan-2-ylmethyl)-2-thiophen-3-ylethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-ylmethyl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 60976116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).