N-[[4-(2-thiophen-2-ylethyl)oxan-4-yl]methyl]propan-2-amine

C15H25NOS — CID 63774106

IUPACN-[[4-(2-thiophen-2-ylethyl)oxan-4-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCc2cccs2)CCOCC1
InChIInChI=1S/C15H25NOS/c1-13(2)16-12-15(7-9-17-10-8-15)6-5-14-4-3-11-18-14/h3-4,11,13,16H,5-10,12H2,1-2H3
InChIKeyUKZWDTDRBPCZLH-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.48
Rot. Bonds6

About N-[[4-(2-thiophen-2-ylethyl)oxan-4-yl]methyl]propan-2-amine

N-[[4-(2-thiophen-2-ylethyl)oxan-4-yl]methyl]propan-2-amine (PubChem CID 63774106) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[[4-(2-thiophen-2-ylethyl)oxan-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2-thiophen-2-ylethyl)oxan-4-yl]methyl]propan-2-amine
PubChem CID63774106
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-[[4-(2-thiophen-2-ylethyl)oxan-4-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCc2cccs2)CCOCC1
InChIInChI=1S/C15H25NOS/c1-13(2)16-12-15(7-9-17-10-8-15)6-5-14-4-3-11-18-14/h3-4,11,13,16H,5-10,12H2,1-2H3
InChIKeyUKZWDTDRBPCZLH-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[[methyl(2-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 79486829
N-[(4-thiophen-2-yloxan-4-yl)methyl]propan-2-amine
CID 62594784
N-[[2-cyclopropyl-3-(2-thiophen-2-ylethyl)oxolan-3-yl]methyl]propan-2-amine
CID 104509867
N-[(4-ethyloxan-4-yl)methyl]propan-2-amine
CID 62905554
3-(bromomethyl)-3-(2-thiophen-2-ylethyl)oxolane
CID 66048547
N-[[3-(2-thiophen-2-ylethyl)oxan-3-yl]methyl]propan-1-amine
CID 63774465
2-methoxy-N-[[4-(thiophen-2-ylmethyl)oxan-4-yl]methyl]ethanamine
CID 62905761
N-propan-2-yl-6-thiophen-2-ylhexan-1-amine
CID 65308474
N-[(4-nonyloxan-4-yl)methyl]propan-2-amine
CID 63502493
4-(2-thiophen-2-ylethyl)oxepan-4-amine
CID 65076896
N-[2-[1-(2-thiophen-2-ylethoxy)cyclobutyl]ethyl]propan-2-amine
CID 103273984
N-[[4-[(3-bromophenyl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 62907138

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-thiophen-2-ylethyl)oxan-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2-thiophen-2-ylethyl)oxan-4-yl]methyl]propan-2-amine (CID 63774106) is N-[[4-(2-thiophen-2-ylethyl)oxan-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2-thiophen-2-ylethyl)oxan-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2-thiophen-2-ylethyl)oxan-4-yl]methyl]propan-2-amine is CC(C)NCC1(CCc2cccs2)CCOCC1.
What is the InChIKey of N-[[4-(2-thiophen-2-ylethyl)oxan-4-yl]methyl]propan-2-amine?
The InChIKey is UKZWDTDRBPCZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-13(2)16-12-15(7-9-17-10-8-15)6-5-14-4-3-11-18-14/h3-4,11,13,16H,5-10,12H2,1-2H3.
What are the key properties of N-[[4-(2-thiophen-2-ylethyl)oxan-4-yl]methyl]propan-2-amine?
N-[[4-(2-thiophen-2-ylethyl)oxan-4-yl]methyl]propan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-thiophen-2-ylethyl)oxan-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 63774106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).