N-methyl-1-(5-methylthiophen-3-yl)octan-1-amine

C14H25NS — CID 104991616

IUPACN-methyl-1-(5-methylthiophen-3-yl)octan-1-amine
SMILESCCCCCCCC(NC)c1csc(C)c1
InChIInChI=1S/C14H25NS/c1-4-5-6-7-8-9-14(15-3)13-10-12(2)16-11-13/h10-11,14-15H,4-9H2,1-3H3
InChIKeyDITAFCYZKKCCTP-UHFFFAOYSA-N
MW239.43 g/mol
LogP4.68
Rot. Bonds8

About N-methyl-1-(5-methylthiophen-3-yl)octan-1-amine

N-methyl-1-(5-methylthiophen-3-yl)octan-1-amine (PubChem CID 104991616) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is N-methyl-1-(5-methylthiophen-3-yl)octan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(5-methylthiophen-3-yl)octan-1-amine
PubChem CID104991616
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC NameN-methyl-1-(5-methylthiophen-3-yl)octan-1-amine
SMILESCCCCCCCC(NC)c1csc(C)c1
InChIInChI=1S/C14H25NS/c1-4-5-6-7-8-9-14(15-3)13-10-12(2)16-11-13/h10-11,14-15H,4-9H2,1-3H3
InChIKeyDITAFCYZKKCCTP-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-methylthiophen-3-yl)nonylhydrazine
CID 105313331
1-(3,5-dimethylphenyl)-N-methylhexan-1-amine
CID 115797265
N-methyl-1-(5-methylfuran-3-yl)tridecan-1-amine
CID 115846501
1-(4-fluoro-3,5-dimethylphenyl)-N-methyldecan-1-amine
CID 65448790
N-methyl-1-(5-methylfuran-3-yl)nonan-1-amine
CID 115835205
N-methyl-1-(3-methylphenyl)decan-1-amine
CID 55186614
N-methyl-1-(4-methylphenyl)hexan-1-amine
CID 43481744
1-(3-bromo-5-methylphenyl)-N-methylheptan-1-amine
CID 115833289
N-methyl-1-(6-methyl-3-pyridinyl)nonan-1-amine
CID 115854494
N-methyl-1-(5-methyl-3-pyridinyl)dodecan-1-amine
CID 105023057
3-(2,2-difluoroethoxy)-N-methyl-1-(5-methylthiophen-3-yl)propan-1-amine
CID 103149318
N-methyl-1-(3-methylthiophen-2-yl)nonan-1-amine
CID 65448392

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylthiophen-3-yl)octan-1-amine?
The IUPAC name of N-methyl-1-(5-methylthiophen-3-yl)octan-1-amine (CID 104991616) is N-methyl-1-(5-methylthiophen-3-yl)octan-1-amine.
What is the SMILES notation for N-methyl-1-(5-methylthiophen-3-yl)octan-1-amine?
The canonical SMILES for N-methyl-1-(5-methylthiophen-3-yl)octan-1-amine is CCCCCCCC(NC)c1csc(C)c1.
What is the InChIKey of N-methyl-1-(5-methylthiophen-3-yl)octan-1-amine?
The InChIKey is DITAFCYZKKCCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-4-5-6-7-8-9-14(15-3)13-10-12(2)16-11-13/h10-11,14-15H,4-9H2,1-3H3.
What are the key properties of N-methyl-1-(5-methylthiophen-3-yl)octan-1-amine?
N-methyl-1-(5-methylthiophen-3-yl)octan-1-amine has a molecular weight of 239.43 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylthiophen-3-yl)octan-1-amine is sourced from PubChem (CID 104991616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).