N-[(5-methyloxolan-2-yl)-thiophen-3-ylmethyl]propan-1-amine

C13H21NOS — CID 104988409

IUPACN-[(5-methyloxolan-2-yl)-thiophen-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccsc1)C1CCC(C)O1
InChIInChI=1S/C13H21NOS/c1-3-7-14-13(11-6-8-16-9-11)12-5-4-10(2)15-12/h6,8-10,12-14H,3-5,7H2,1-2H3
InChIKeyTZFGVJDAHZHAOX-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.36
Rot. Bonds5

About N-[(5-methyloxolan-2-yl)-thiophen-3-ylmethyl]propan-1-amine

N-[(5-methyloxolan-2-yl)-thiophen-3-ylmethyl]propan-1-amine (PubChem CID 104988409) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-[(5-methyloxolan-2-yl)-thiophen-3-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-methyloxolan-2-yl)-thiophen-3-ylmethyl]propan-1-amine
PubChem CID104988409
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-[(5-methyloxolan-2-yl)-thiophen-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccsc1)C1CCC(C)O1
InChIInChI=1S/C13H21NOS/c1-3-7-14-13(11-6-8-16-9-11)12-5-4-10(2)15-12/h6,8-10,12-14H,3-5,7H2,1-2H3
InChIKeyTZFGVJDAHZHAOX-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 115796924
N-[cyclobutyl(thiophen-3-yl)methyl]propan-1-amine
CID 65104762
N-[cyclohexyl(thiophen-3-yl)methyl]propan-1-amine
CID 60819375
N-[cyclooctyl(thiophen-3-yl)methyl]propan-1-amine
CID 80611349
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 81330623
N-[(3-fluorophenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 115791948
N-[(2,3-difluoro-4-methylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 107515367
N-[(4-methoxy-3,5-dimethylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 83045842
N-[(4-tert-butylcyclohexyl)-thiophen-3-ylmethyl]propan-1-amine
CID 65415541
N-[(4,5-dibromothiophen-2-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 81330145
N-[(5-methyloxolan-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 105027443
N-[(3-fluoro-4-pyridinyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 105038262

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyloxolan-2-yl)-thiophen-3-ylmethyl]propan-1-amine?
The IUPAC name of N-[(5-methyloxolan-2-yl)-thiophen-3-ylmethyl]propan-1-amine (CID 104988409) is N-[(5-methyloxolan-2-yl)-thiophen-3-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(5-methyloxolan-2-yl)-thiophen-3-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(5-methyloxolan-2-yl)-thiophen-3-ylmethyl]propan-1-amine is CCCNC(c1ccsc1)C1CCC(C)O1.
What is the InChIKey of N-[(5-methyloxolan-2-yl)-thiophen-3-ylmethyl]propan-1-amine?
The InChIKey is TZFGVJDAHZHAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-3-7-14-13(11-6-8-16-9-11)12-5-4-10(2)15-12/h6,8-10,12-14H,3-5,7H2,1-2H3.
What are the key properties of N-[(5-methyloxolan-2-yl)-thiophen-3-ylmethyl]propan-1-amine?
N-[(5-methyloxolan-2-yl)-thiophen-3-ylmethyl]propan-1-amine has a molecular weight of 239.38 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-[(5-methyloxolan-2-yl)-thiophen-3-ylmethyl]propan-1-amine is sourced from PubChem (CID 104988409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).