N-[2-(3-methylthiophen-2-yl)ethyl]oxan-4-amine

C12H19NOS — CID 115897898

IUPACN-[2-(3-methylthiophen-2-yl)ethyl]oxan-4-amine
SMILESCc1ccsc1CCNC1CCOCC1
InChIInChI=1S/C12H19NOS/c1-10-5-9-15-12(10)2-6-13-11-3-7-14-8-4-11/h5,9,11,13H,2-4,6-8H2,1H3
InChIKeyFGTXYHWIMVXRSG-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.37
Rot. Bonds4

About N-[2-(3-methylthiophen-2-yl)ethyl]oxan-4-amine

N-[2-(3-methylthiophen-2-yl)ethyl]oxan-4-amine (PubChem CID 115897898) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[2-(3-methylthiophen-2-yl)ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-(3-methylthiophen-2-yl)ethyl]oxan-4-amine
PubChem CID115897898
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-[2-(3-methylthiophen-2-yl)ethyl]oxan-4-amine
SMILESCc1ccsc1CCNC1CCOCC1
InChIInChI=1S/C12H19NOS/c1-10-5-9-15-12(10)2-6-13-11-3-7-14-8-4-11/h5,9,11,13H,2-4,6-8H2,1H3
InChIKeyFGTXYHWIMVXRSG-UHFFFAOYSA-N
XLogP2.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methylthiophen-2-yl)ethyl]oxan-3-amine
CID 115898793
4-N-[2-(3-methylthiophen-2-yl)ethyl]cyclohexane-1,4-diamine
CID 115149897
N-(2-phenylethyl)oxan-4-amine;hydrochloride
CID 71299312
N-[(3-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine
CID 115696483
N-cyclopropyl-N'-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 115206808
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolan-3-amine
CID 63335162
2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol
CID 115216347
1-cyclopropyl-2-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 115898820
N-[2-(3,4-dimethylphenyl)sulfanylethyl]oxan-4-amine
CID 63100221
2-[2-(3-methylthiophen-2-yl)ethylamino]acetonitrile
CID 115131313
3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 115898789
4-[(3-methylthiophen-2-yl)methyl]morpholin-4-ium
CID 6943004

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylthiophen-2-yl)ethyl]oxan-4-amine?
The IUPAC name of N-[2-(3-methylthiophen-2-yl)ethyl]oxan-4-amine (CID 115897898) is N-[2-(3-methylthiophen-2-yl)ethyl]oxan-4-amine.
What is the SMILES notation for N-[2-(3-methylthiophen-2-yl)ethyl]oxan-4-amine?
The canonical SMILES for N-[2-(3-methylthiophen-2-yl)ethyl]oxan-4-amine is Cc1ccsc1CCNC1CCOCC1.
What is the InChIKey of N-[2-(3-methylthiophen-2-yl)ethyl]oxan-4-amine?
The InChIKey is FGTXYHWIMVXRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-10-5-9-15-12(10)2-6-13-11-3-7-14-8-4-11/h5,9,11,13H,2-4,6-8H2,1H3.
What are the key properties of N-[2-(3-methylthiophen-2-yl)ethyl]oxan-4-amine?
N-[2-(3-methylthiophen-2-yl)ethyl]oxan-4-amine has a molecular weight of 225.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylthiophen-2-yl)ethyl]oxan-4-amine is sourced from PubChem (CID 115897898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).