N-methyl-1-(3-methylthiophen-2-yl)nonan-1-amine

C15H27NS — CID 65448392

IUPACN-methyl-1-(3-methylthiophen-2-yl)nonan-1-amine
SMILESCCCCCCCCC(NC)c1sccc1C
InChIInChI=1S/C15H27NS/c1-4-5-6-7-8-9-10-14(16-3)15-13(2)11-12-17-15/h11-12,14,16H,4-10H2,1-3H3
InChIKeySCCSMDNWXZYODR-UHFFFAOYSA-N
MW253.45 g/mol
LogP5.07
Rot. Bonds9

About N-methyl-1-(3-methylthiophen-2-yl)nonan-1-amine

N-methyl-1-(3-methylthiophen-2-yl)nonan-1-amine (PubChem CID 65448392) has the molecular formula C15H27NS and a molecular weight of 253.45 g/mol. Its IUPAC name is N-methyl-1-(3-methylthiophen-2-yl)nonan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methylthiophen-2-yl)nonan-1-amine
PubChem CID65448392
Molecular FormulaC15H27NS
Molecular Weight253.45 g/mol
Exact Mass253.19
IUPAC NameN-methyl-1-(3-methylthiophen-2-yl)nonan-1-amine
SMILESCCCCCCCCC(NC)c1sccc1C
InChIInChI=1S/C15H27NS/c1-4-5-6-7-8-9-10-14(16-3)15-13(2)11-12-17-15/h11-12,14,16H,4-10H2,1-3H3
InChIKeySCCSMDNWXZYODR-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.45
LogP ≤ 55.07
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

N-methyl-1-(3-methylthiophen-2-yl)octan-1-amine
CID 63502985
N-ethyl-1-(3-methylthiophen-2-yl)nonan-1-amine
CID 65448579
1-(3-chlorothiophen-2-yl)-N-methyltridecan-1-amine
CID 115846498
1-(3-bromothiophen-2-yl)-N-methyloctan-1-amine
CID 80534752
1-(3-ethylthiophen-2-yl)-N-methylhexan-1-amine
CID 115837220
1-(3-methylthiophen-2-yl)pentylhydrazine
CID 105245717
1-(3-methylthiophen-2-yl)tridecan-1-ol
CID 65148369
1-(3-methylthiophen-2-yl)hexan-1-amine;hydrochloride
CID 86262849
N-methyl-1-(3-methylthiophen-2-yl)hex-4-yn-1-amine
CID 105037504
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)undecan-1-amine
CID 105138249
N-methyl-1-(3-methylthiophen-2-yl)-2-propylpentan-1-amine
CID 82984360
1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine
CID 115832230

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylthiophen-2-yl)nonan-1-amine?
The IUPAC name of N-methyl-1-(3-methylthiophen-2-yl)nonan-1-amine (CID 65448392) is N-methyl-1-(3-methylthiophen-2-yl)nonan-1-amine.
What is the SMILES notation for N-methyl-1-(3-methylthiophen-2-yl)nonan-1-amine?
The canonical SMILES for N-methyl-1-(3-methylthiophen-2-yl)nonan-1-amine is CCCCCCCCC(NC)c1sccc1C.
What is the InChIKey of N-methyl-1-(3-methylthiophen-2-yl)nonan-1-amine?
The InChIKey is SCCSMDNWXZYODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NS/c1-4-5-6-7-8-9-10-14(16-3)15-13(2)11-12-17-15/h11-12,14,16H,4-10H2,1-3H3.
What are the key properties of N-methyl-1-(3-methylthiophen-2-yl)nonan-1-amine?
N-methyl-1-(3-methylthiophen-2-yl)nonan-1-amine has a molecular weight of 253.45 g/mol, XLogP of 5.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylthiophen-2-yl)nonan-1-amine is sourced from PubChem (CID 65448392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).