N-propyl-3-(thiophen-3-ylmethyl)oxan-4-amine

C13H21NOS — CID 106469570

IUPACN-propyl-3-(thiophen-3-ylmethyl)oxan-4-amine
SMILESCCCNC1CCOCC1Cc1ccsc1
InChIInChI=1S/C13H21NOS/c1-2-5-14-13-3-6-15-9-12(13)8-11-4-7-16-10-11/h4,7,10,12-14H,2-3,5-6,8-9H2,1H3
InChIKeyXOXXUPDUFQWQAD-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.70
Rot. Bonds5

About N-propyl-3-(thiophen-3-ylmethyl)oxan-4-amine

N-propyl-3-(thiophen-3-ylmethyl)oxan-4-amine (PubChem CID 106469570) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-propyl-3-(thiophen-3-ylmethyl)oxan-4-amine.

Molecular Properties

Compound NameN-propyl-3-(thiophen-3-ylmethyl)oxan-4-amine
PubChem CID106469570
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-propyl-3-(thiophen-3-ylmethyl)oxan-4-amine
SMILESCCCNC1CCOCC1Cc1ccsc1
InChIInChI=1S/C13H21NOS/c1-2-5-14-13-3-6-15-9-12(13)8-11-4-7-16-10-11/h4,7,10,12-14H,2-3,5-6,8-9H2,1H3
InChIKeyXOXXUPDUFQWQAD-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(furan-3-ylmethyl)-N-propyloxan-4-amine
CID 106469611
3-[(3,4-dimethylphenyl)methyl]-N-propyloxan-4-amine
CID 106469556
(3R,4R)-3-[(4-chlorophenyl)methyl]-N-ethyloxan-4-amine
CID 97177537
3-hexyl-N-propyloxan-4-amine
CID 106469429
3-[[cyclopropyl(methyl)amino]methyl]-N-propyloxan-4-amine
CID 103058724
3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-amine
CID 103060387
3-[(4-bromothiophen-2-yl)methyl]-N-ethyloxan-4-amine
CID 106469388
3-[[methyl(pentan-3-yl)amino]methyl]-N-propyloxan-4-amine
CID 103058871
N-[1-(oxan-4-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 62907430
3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-propyloxan-4-amine
CID 106469561
3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propyloxan-4-amine
CID 106469582
N-propyl-3-thiophen-2-ylsulfanyloxan-4-amine
CID 64613802

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(thiophen-3-ylmethyl)oxan-4-amine?
The IUPAC name of N-propyl-3-(thiophen-3-ylmethyl)oxan-4-amine (CID 106469570) is N-propyl-3-(thiophen-3-ylmethyl)oxan-4-amine.
What is the SMILES notation for N-propyl-3-(thiophen-3-ylmethyl)oxan-4-amine?
The canonical SMILES for N-propyl-3-(thiophen-3-ylmethyl)oxan-4-amine is CCCNC1CCOCC1Cc1ccsc1.
What is the InChIKey of N-propyl-3-(thiophen-3-ylmethyl)oxan-4-amine?
The InChIKey is XOXXUPDUFQWQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-2-5-14-13-3-6-15-9-12(13)8-11-4-7-16-10-11/h4,7,10,12-14H,2-3,5-6,8-9H2,1H3.
What are the key properties of N-propyl-3-(thiophen-3-ylmethyl)oxan-4-amine?
N-propyl-3-(thiophen-3-ylmethyl)oxan-4-amine has a molecular weight of 239.38 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(thiophen-3-ylmethyl)oxan-4-amine is sourced from PubChem (CID 106469570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).