N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine

C14H21NOS — CID 113261565

IUPACN-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCC1CC2CCC1O2)c1cccs1
InChIInChI=1S/C14H21NOS/c1-2-12(14-4-3-7-17-14)15-9-10-8-11-5-6-13(10)16-11/h3-4,7,10-13,15H,2,5-6,8-9H2,1H3
InChIKeyKYKZETNIKHKQPV-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.36
Rot. Bonds5

About N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine

N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine (PubChem CID 113261565) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
PubChem CID113261565
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC NameN-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCC1CC2CCC1O2)c1cccs1
InChIInChI=1S/C14H21NOS/c1-2-12(14-4-3-7-17-14)15-9-10-8-11-5-6-13(10)16-11/h3-4,7,10-13,15H,2,5-6,8-9H2,1H3
InChIKeyKYKZETNIKHKQPV-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-dioxolan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 75504547
N-[(2,2-dimethylcyclopropyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 103902072
4-[(1-thiophen-2-ylpropylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532736
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 102897054
N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)hexan-3-amine
CID 115905772
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 60856851
4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pentan-2-amine
CID 115720038
N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 54983030
3-methyl-N-(1-thiophen-2-ylpropyl)but-2-en-1-amine
CID 104578036
N-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057521
3,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 64744444
N-cyclopentyl-2-(1-thiophen-2-ylpropylamino)acetamide
CID 54964472

Frequently Asked Questions

What is the IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine (CID 113261565) is N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine is CCC(NCC1CC2CCC1O2)c1cccs1.
What is the InChIKey of N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine?
The InChIKey is KYKZETNIKHKQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-2-12(14-4-3-7-17-14)15-9-10-8-11-5-6-13(10)16-11/h3-4,7,10-13,15H,2,5-6,8-9H2,1H3.
What are the key properties of N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine?
N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 113261565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).