N-[(5-methylthiophen-2-yl)methyl]-2-octan-2-yloxyethanamine

C16H29NOS — CID 63506911

IUPACN-[(5-methylthiophen-2-yl)methyl]-2-octan-2-yloxyethanamine
SMILESCCCCCCC(C)OCCNCc1ccc(C)s1
InChIInChI=1S/C16H29NOS/c1-4-5-6-7-8-14(2)18-12-11-17-13-16-10-9-15(3)19-16/h9-10,14,17H,4-8,11-13H2,1-3H3
InChIKeyTWKTUZILUSFLNK-UHFFFAOYSA-N
MW283.48 g/mol
LogP4.52
Rot. Bonds11

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

N-[(5-methylthiophen-2-yl)methyl]-2-octan-2-yloxyethanamine (PubChem CID 63506911) has the molecular formula C16H29NOS and a molecular weight of 283.48 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-2-octan-2-yloxyethanamine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-2-octan-2-yloxyethanamine
PubChem CID63506911
Molecular FormulaC16H29NOS
Molecular Weight283.48 g/mol
Exact Mass283.20
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-2-octan-2-yloxyethanamine
SMILESCCCCCCC(C)OCCNCc1ccc(C)s1
InChIInChI=1S/C16H29NOS/c1-4-5-6-7-8-14(2)18-12-11-17-13-16-10-9-15(3)19-16/h9-10,14,17H,4-8,11-13H2,1-3H3
InChIKeyTWKTUZILUSFLNK-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 54.52
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-pentoxyethanamine
CID 62583214
2-methyl-N-[[5-(octan-2-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558196
N-(2-octan-2-yloxyethyl)pentan-1-amine
CID 55194379
N-[(5-methylthiophen-2-yl)methyl]-2-(2-propan-2-yloxyethoxy)ethanamine
CID 62570788
N-[[5-methyl-4-(octan-2-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 80720806
1-N-[(5-methylthiophen-2-yl)methyl]butane-1,3-diamine
CID 62056567
(2R)-4-[(5-methylthiophen-2-yl)methylamino]butan-2-ol
CID 96500046
1-[(5-methylthiophen-2-yl)methylamino]-3-octoxypropan-2-ol
CID 60969907
2-methyl-N-[(5-methylthiophen-2-yl)methyl]pentan-1-amine
CID 62054518
2-methyl-5-[(5-methylthiophen-2-yl)methylamino]pentan-1-ol
CID 103859564
2-(4-butan-2-ylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 107668554
N-(2-pentan-2-yloxyethyl)hexan-1-amine
CID 102987397

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-2-octan-2-yloxyethanamine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-2-octan-2-yloxyethanamine (CID 63506911) is N-[(5-methylthiophen-2-yl)methyl]-2-octan-2-yloxyethanamine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-2-octan-2-yloxyethanamine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-2-octan-2-yloxyethanamine is CCCCCCC(C)OCCNCc1ccc(C)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-2-octan-2-yloxyethanamine?
The InChIKey is TWKTUZILUSFLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NOS/c1-4-5-6-7-8-14(2)18-12-11-17-13-16-10-9-15(3)19-16/h9-10,14,17H,4-8,11-13H2,1-3H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-2-octan-2-yloxyethanamine?
N-[(5-methylthiophen-2-yl)methyl]-2-octan-2-yloxyethanamine has a molecular weight of 283.48 g/mol, XLogP of 4.52, 11 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-octan-2-yloxyethanamine is sourced from PubChem (CID 63506911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).