N-[(5-methyloxolan-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine

C14H23NOS — CID 82835174

IUPACN-[(5-methyloxolan-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine
SMILESCc1ccc(CC(C)NCC2CCC(C)O2)s1
InChIInChI=1S/C14H23NOS/c1-10(8-14-7-5-12(3)17-14)15-9-13-6-4-11(2)16-13/h5,7,10-11,13,15H,4,6,8-9H2,1-3H3
InChIKeyIVIBYIMFMCWYQQ-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.14
Rot. Bonds5

About N-[(5-methyloxolan-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine

N-[(5-methyloxolan-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine (PubChem CID 82835174) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[(5-methyloxolan-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-[(5-methyloxolan-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine
PubChem CID82835174
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC NameN-[(5-methyloxolan-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine
SMILESCc1ccc(CC(C)NCC2CCC(C)O2)s1
InChIInChI=1S/C14H23NOS/c1-10(8-14-7-5-12(3)17-14)15-9-13-6-4-11(2)16-13/h5,7,10-11,13,15H,4,6,8-9H2,1-3H3
InChIKeyIVIBYIMFMCWYQQ-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methylthiophen-2-yl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106633990
N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopropanamine
CID 103439266
(2R)-2-[(5-methyloxolan-2-yl)methylamino]propan-1-ol
CID 114985738
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine
CID 66362896
3,4-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexan-1-amine
CID 64745439
1-methoxy-N-[(5-methyloxolan-2-yl)methyl]propan-2-amine
CID 82833761
1-(1,3-benzodioxol-5-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82833988
(1R)-1-(4-bromophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82836687
(1S)-1-(furan-2-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82836690
1-(4-tert-butylphenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82834989
1-cyclopentyl-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]propan-2-ol
CID 103157859
1-(2-chlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82835073

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine?
The IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine (CID 82835174) is N-[(5-methyloxolan-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine.
What is the SMILES notation for N-[(5-methyloxolan-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine?
The canonical SMILES for N-[(5-methyloxolan-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine is Cc1ccc(CC(C)NCC2CCC(C)O2)s1.
What is the InChIKey of N-[(5-methyloxolan-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine?
The InChIKey is IVIBYIMFMCWYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-10(8-14-7-5-12(3)17-14)15-9-13-6-4-11(2)16-13/h5,7,10-11,13,15H,4,6,8-9H2,1-3H3.
What are the key properties of N-[(5-methyloxolan-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine?
N-[(5-methyloxolan-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine has a molecular weight of 253.41 g/mol, XLogP of 3.14, 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)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine is sourced from PubChem (CID 82835174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).