N-[[2-cyclopropyl-3-(2-thiophen-2-ylethyl)oxolan-3-yl]methyl]propan-2-amine

C17H27NOS — CID 104509867

IUPACN-[[2-cyclopropyl-3-(2-thiophen-2-ylethyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCc2cccs2)CCOC1C1CC1
InChIInChI=1S/C17H27NOS/c1-13(2)18-12-17(8-7-15-4-3-11-20-15)9-10-19-16(17)14-5-6-14/h3-4,11,13-14,16,18H,5-10,12H2,1-2H3
InChIKeyZMDIWDFNADHSAF-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.86
Rot. Bonds7

About N-[[2-cyclopropyl-3-(2-thiophen-2-ylethyl)oxolan-3-yl]methyl]propan-2-amine

N-[[2-cyclopropyl-3-(2-thiophen-2-ylethyl)oxolan-3-yl]methyl]propan-2-amine (PubChem CID 104509867) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is N-[[2-cyclopropyl-3-(2-thiophen-2-ylethyl)oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-cyclopropyl-3-(2-thiophen-2-ylethyl)oxolan-3-yl]methyl]propan-2-amine
PubChem CID104509867
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC NameN-[[2-cyclopropyl-3-(2-thiophen-2-ylethyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCc2cccs2)CCOC1C1CC1
InChIInChI=1S/C17H27NOS/c1-13(2)18-12-17(8-7-15-4-3-11-20-15)9-10-19-16(17)14-5-6-14/h3-4,11,13-14,16,18H,5-10,12H2,1-2H3
InChIKeyZMDIWDFNADHSAF-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-cyclopropyl-3-propyloxolan-3-yl)methyl]propan-2-amine
CID 104509924
N-[[4-(2-thiophen-2-ylethyl)oxan-4-yl]methyl]propan-2-amine
CID 63774106
N-[(2-cyclopropyl-3-hexyloxolan-3-yl)methyl]propan-2-amine
CID 104509877
N-[[2-cyclopropyl-3-(thiophen-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 104509839
3-(bromomethyl)-2-cyclopropyl-3-(thiophen-2-ylmethyl)oxolane
CID 104510783
N-[[2-cyclopropyl-3-(2-thiophen-3-ylethyl)oxolan-3-yl]methyl]ethanamine
CID 104509696
1-[2-cyclopropyl-3-(3-methylbutyl)oxolan-3-yl]-N-methylmethanamine
CID 104509569
N-[[3-[[methyl(2-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 79486829
N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534739
1-cyclobutyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 115706476
(1R)-1-cyclopentyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 81395803
N-[[2-cyclopropyl-3-[2-(2-methylpyrazol-3-yl)ethyl]oxolan-3-yl]methyl]ethanamine
CID 103014837

Frequently Asked Questions

What is the IUPAC name of N-[[2-cyclopropyl-3-(2-thiophen-2-ylethyl)oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-cyclopropyl-3-(2-thiophen-2-ylethyl)oxolan-3-yl]methyl]propan-2-amine (CID 104509867) is N-[[2-cyclopropyl-3-(2-thiophen-2-ylethyl)oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-cyclopropyl-3-(2-thiophen-2-ylethyl)oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-cyclopropyl-3-(2-thiophen-2-ylethyl)oxolan-3-yl]methyl]propan-2-amine is CC(C)NCC1(CCc2cccs2)CCOC1C1CC1.
What is the InChIKey of N-[[2-cyclopropyl-3-(2-thiophen-2-ylethyl)oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is ZMDIWDFNADHSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-13(2)18-12-17(8-7-15-4-3-11-20-15)9-10-19-16(17)14-5-6-14/h3-4,11,13-14,16,18H,5-10,12H2,1-2H3.
What are the key properties of N-[[2-cyclopropyl-3-(2-thiophen-2-ylethyl)oxolan-3-yl]methyl]propan-2-amine?
N-[[2-cyclopropyl-3-(2-thiophen-2-ylethyl)oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 293.48 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-cyclopropyl-3-(2-thiophen-2-ylethyl)oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 104509867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).