N-[(5-methylthiophen-2-yl)methyl]-2-pentoxyethanamine

C13H23NOS — CID 62583214

IUPACN-[(5-methylthiophen-2-yl)methyl]-2-pentoxyethanamine
SMILESCCCCCOCCNCc1ccc(C)s1
InChIInChI=1S/C13H23NOS/c1-3-4-5-9-15-10-8-14-11-13-7-6-12(2)16-13/h6-7,14H,3-5,8-11H2,1-2H3
InChIKeyNPNUMMHBXCYETC-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.35
Rot. Bonds9

About N-[(5-methylthiophen-2-yl)methyl]-2-pentoxyethanamine

N-[(5-methylthiophen-2-yl)methyl]-2-pentoxyethanamine (PubChem CID 62583214) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-2-pentoxyethanamine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-2-pentoxyethanamine
PubChem CID62583214
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-2-pentoxyethanamine
SMILESCCCCCOCCNCc1ccc(C)s1
InChIInChI=1S/C13H23NOS/c1-3-4-5-9-15-10-8-14-11-13-7-6-12(2)16-13/h6-7,14H,3-5,8-11H2,1-2H3
InChIKeyNPNUMMHBXCYETC-UHFFFAOYSA-N
XLogP3.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-methylthiophen-2-yl)methyl]-2-(3,3,3-trifluoropropoxy)ethanamine
CID 82956655
N-[(5-methylthiophen-2-yl)methyl]-2-octan-2-yloxyethanamine
CID 63506911
N-[(5-methylthiophen-2-yl)methyl]-2-(2-propan-2-yloxyethoxy)ethanamine
CID 62570788
2-(3-methylbut-3-enoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 114470947
1-[(5-methylthiophen-2-yl)methylamino]-3-octoxypropan-2-ol
CID 60969907
1-(2-butoxyethyl)-2-methyl-3-[(5-methylthiophen-2-yl)methyl]guanidine
CID 111899283
N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-2-ylmethoxy)ethanamine
CID 55088440
2-(4-ethylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62572739
2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 60663613
5-[(3-butoxypropylamino)methyl]thiophene-2-carbonitrile
CID 115675311
1-(3-ethoxypropyl)-3-[(5-methylthiophen-2-yl)methyl]thiourea
CID 113224031
N',N'-diethyl-N-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 4720465

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-2-pentoxyethanamine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-2-pentoxyethanamine (CID 62583214) is N-[(5-methylthiophen-2-yl)methyl]-2-pentoxyethanamine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-2-pentoxyethanamine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-2-pentoxyethanamine is CCCCCOCCNCc1ccc(C)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-2-pentoxyethanamine?
The InChIKey is NPNUMMHBXCYETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-3-4-5-9-15-10-8-14-11-13-7-6-12(2)16-13/h6-7,14H,3-5,8-11H2,1-2H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-2-pentoxyethanamine?
N-[(5-methylthiophen-2-yl)methyl]-2-pentoxyethanamine has a molecular weight of 241.40 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-2-pentoxyethanamine is sourced from PubChem (CID 62583214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).