N-[(5-ethylthiophen-2-yl)methyl]oxan-4-amine

C12H19NOS — CID 43610154

IUPACN-[(5-ethylthiophen-2-yl)methyl]oxan-4-amine
SMILESCCc1ccc(CNC2CCOCC2)s1
InChIInChI=1S/C12H19NOS/c1-2-11-3-4-12(15-11)9-13-10-5-7-14-8-6-10/h3-4,10,13H,2,5-9H2,1H3
InChIKeyRVNLDKDKIYPIQJ-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.58
Rot. Bonds4

About N-[(5-ethylthiophen-2-yl)methyl]oxan-4-amine

N-[(5-ethylthiophen-2-yl)methyl]oxan-4-amine (PubChem CID 43610154) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]oxan-4-amine
PubChem CID43610154
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]oxan-4-amine
SMILESCCc1ccc(CNC2CCOCC2)s1
InChIInChI=1S/C12H19NOS/c1-2-11-3-4-12(15-11)9-13-10-5-7-14-8-6-10/h3-4,10,13H,2,5-9H2,1H3
InChIKeyRVNLDKDKIYPIQJ-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-Methyl-thiophen-2-ylmethyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrochloride
CID 2966635
Cyclohexyl-(5-methyl-thiophen-2-ylmethyl)-amine
CID 17295952
2-Morpholin-4-yl-2-thiophen-2-yl-ethylamine
CID 3815310
(3-Isopropoxy-propyl)-thiophen-2-ylmethyl-amine
CID 3155084
2-(5-Methylthiophen-2-yl)-2-(morpholin-4-yl)ethan-1-amine
CID 43146823
[(5-Methylthiophen-2-yl)methyl](propan-2-yl)amine
CID 16495108
N-(3-Methoxypropyl)-N-(thien-2-ylmethyl)amine
CID 17206465
1-(4-ethylmorpholin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 53617391
N-(cyclopropylmethyl)-2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethanamine
CID 71932864
3-[4-[3-(Thiophen-2-ylmethylamino)propoxy]butoxy]propan-1-amine
CID 76317037
N-[(5-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4722528
3-{[1-(5-Methylthiophen-2-yl)ethyl]amino}propan-1-ol
CID 43206579

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]oxan-4-amine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]oxan-4-amine (CID 43610154) is N-[(5-ethylthiophen-2-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]oxan-4-amine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]oxan-4-amine is CCc1ccc(CNC2CCOCC2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]oxan-4-amine?
The InChIKey is RVNLDKDKIYPIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-2-11-3-4-12(15-11)9-13-10-5-7-14-8-6-10/h3-4,10,13H,2,5-9H2,1H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]oxan-4-amine?
N-[(5-ethylthiophen-2-yl)methyl]oxan-4-amine has a molecular weight of 225.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]oxan-4-amine is sourced from PubChem (CID 43610154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).