N-methyl-1-(oxolan-3-yl)-4-thiophen-2-ylbutan-2-amine

C13H21NOS — CID 103986936

IUPACN-methyl-1-(oxolan-3-yl)-4-thiophen-2-ylbutan-2-amine
SMILESCNC(CCc1cccs1)CC1CCOC1
InChIInChI=1S/C13H21NOS/c1-14-12(9-11-6-7-15-10-11)4-5-13-3-2-8-16-13/h2-3,8,11-12,14H,4-7,9-10H2,1H3
InChIKeyWBQFGMYXNVMJQI-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.70
Rot. Bonds6

About N-methyl-1-(oxolan-3-yl)-4-thiophen-2-ylbutan-2-amine

N-methyl-1-(oxolan-3-yl)-4-thiophen-2-ylbutan-2-amine (PubChem CID 103986936) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-methyl-1-(oxolan-3-yl)-4-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-3-yl)-4-thiophen-2-ylbutan-2-amine
PubChem CID103986936
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-methyl-1-(oxolan-3-yl)-4-thiophen-2-ylbutan-2-amine
SMILESCNC(CCc1cccs1)CC1CCOC1
InChIInChI=1S/C13H21NOS/c1-14-12(9-11-6-7-15-10-11)4-5-13-3-2-8-16-13/h2-3,8,11-12,14H,4-7,9-10H2,1H3
InChIKeyWBQFGMYXNVMJQI-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

1-cyclobutyl-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 103168696
N-ethyl-1-(oxan-4-yl)-5-thiophen-2-ylpentan-2-amine
CID 105138838
1-cyclobutyl-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 103168700
1-(oxan-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 105138604
1-(4-ethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362150
N-methyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)butan-2-amine
CID 103012081
N-methyl-4-methylsulfonyl-1-(oxolan-3-yl)butan-2-amine
CID 114982644
1-cyclopropyl-N-methyl-6-thiophen-2-ylhexan-3-amine
CID 105157838
N-methyl-1-(oxolan-3-yl)pent-4-en-2-amine
CID 103986920
N-methyl-4-(2-methylphenyl)-1-(oxan-4-yl)butan-2-amine
CID 105138690
N-methyl-1-propan-2-ylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65131658
1-(oxan-4-yl)-3-thiophen-2-ylpropan-1-ol
CID 65150255

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-3-yl)-4-thiophen-2-ylbutan-2-amine?
The IUPAC name of N-methyl-1-(oxolan-3-yl)-4-thiophen-2-ylbutan-2-amine (CID 103986936) is N-methyl-1-(oxolan-3-yl)-4-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for N-methyl-1-(oxolan-3-yl)-4-thiophen-2-ylbutan-2-amine?
The canonical SMILES for N-methyl-1-(oxolan-3-yl)-4-thiophen-2-ylbutan-2-amine is CNC(CCc1cccs1)CC1CCOC1.
What is the InChIKey of N-methyl-1-(oxolan-3-yl)-4-thiophen-2-ylbutan-2-amine?
The InChIKey is WBQFGMYXNVMJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-14-12(9-11-6-7-15-10-11)4-5-13-3-2-8-16-13/h2-3,8,11-12,14H,4-7,9-10H2,1H3.
What are the key properties of N-methyl-1-(oxolan-3-yl)-4-thiophen-2-ylbutan-2-amine?
N-methyl-1-(oxolan-3-yl)-4-thiophen-2-ylbutan-2-amine has a molecular weight of 239.38 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-3-yl)-4-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 103986936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).