N-[(3,5-dimethylthiophen-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine

C15H25NOS — CID 114825356

IUPACN-[(3,5-dimethylthiophen-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1sc(C)cc1C)C1COC(C)C1
InChIInChI=1S/C15H25NOS/c1-5-6-16-14(13-8-11(3)17-9-13)15-10(2)7-12(4)18-15/h7,11,13-14,16H,5-6,8-9H2,1-4H3
InChIKeyAWRMDSIKBUTXCD-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.83
Rot. Bonds5

About N-[(3,5-dimethylthiophen-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine

N-[(3,5-dimethylthiophen-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine (PubChem CID 114825356) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[(3,5-dimethylthiophen-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylthiophen-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
PubChem CID114825356
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-[(3,5-dimethylthiophen-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1sc(C)cc1C)C1COC(C)C1
InChIInChI=1S/C15H25NOS/c1-5-6-16-14(13-8-11(3)17-9-13)15-10(2)7-12(4)18-15/h7,11,13-14,16H,5-6,8-9H2,1-4H3
InChIKeyAWRMDSIKBUTXCD-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cycloheptyl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81155915
N-[(4-fluoro-2,6-dimethylphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 106878990
N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 106892800
N-[(2,5-dibromo-4-methylphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 114825362
N-[(3,5-difluorophenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 115851784
N-[(5-methyloxolan-3-yl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105023309
N-[2,3-dihydro-1-benzofuran-3-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81163668
N-[(7-methyl-1-benzofuran-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 105045696
N-[2,3-dihydrofuran-5-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 102653179
N-[(5-methyloxolan-3-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 115809309
N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 107178074
N-[(5-methyloxolan-3-yl)-(4-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 114825144

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylthiophen-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,5-dimethylthiophen-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine (CID 114825356) is N-[(3,5-dimethylthiophen-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,5-dimethylthiophen-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,5-dimethylthiophen-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine is CCCNC(c1sc(C)cc1C)C1COC(C)C1.
What is the InChIKey of N-[(3,5-dimethylthiophen-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine?
The InChIKey is AWRMDSIKBUTXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-5-6-16-14(13-8-11(3)17-9-13)15-10(2)7-12(4)18-15/h7,11,13-14,16H,5-6,8-9H2,1-4H3.
What are the key properties of N-[(3,5-dimethylthiophen-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine?
N-[(3,5-dimethylthiophen-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylthiophen-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 114825356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).