N-methyl-1-thiophen-2-yldodecan-3-amine

C17H31NS — CID 115860959

IUPACN-methyl-1-thiophen-2-yldodecan-3-amine
SMILESCCCCCCCCCC(CCc1cccs1)NC
InChIInChI=1S/C17H31NS/c1-3-4-5-6-7-8-9-11-16(18-2)13-14-17-12-10-15-19-17/h10,12,15-16,18H,3-9,11,13-14H2,1-2H3
InChIKeyTUDSOUUTSKTCQF-UHFFFAOYSA-N
MW281.51 g/mol
LogP5.41
Rot. Bonds12

About N-methyl-1-thiophen-2-yldodecan-3-amine

N-methyl-1-thiophen-2-yldodecan-3-amine (PubChem CID 115860959) has the molecular formula C17H31NS and a molecular weight of 281.51 g/mol. Its IUPAC name is N-methyl-1-thiophen-2-yldodecan-3-amine.

Molecular Properties

Compound NameN-methyl-1-thiophen-2-yldodecan-3-amine
PubChem CID115860959
Molecular FormulaC17H31NS
Molecular Weight281.51 g/mol
Exact Mass281.22
IUPAC NameN-methyl-1-thiophen-2-yldodecan-3-amine
SMILESCCCCCCCCCC(CCc1cccs1)NC
InChIInChI=1S/C17H31NS/c1-3-4-5-6-7-8-9-11-16(18-2)13-14-17-12-10-15-19-17/h10,12,15-16,18H,3-9,11,13-14H2,1-2H3
InChIKeyTUDSOUUTSKTCQF-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.51
LogP ≤ 55.41
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-thiophen-2-yltetradecan-2-amine
CID 63416157
N-propyl-1-thiophen-2-yldecan-3-amine
CID 115860884
1-thiophen-2-yltetradecan-4-ylhydrazine
CID 105298385
N-methyl-6-phenyl-1-thiophen-2-ylhexan-3-amine
CID 105150151
N-methyl-1-propoxy-5-thiophen-2-ylpentan-3-amine
CID 105150190
N-methyl-1-phenyl-6-thiophen-2-ylhexan-3-amine
CID 105094221
N-methyl-1-propan-2-ylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65131658
methane;2-undecylthiophene
CID 175504380
N-methyl-1-methylsulfonyl-7-thiophen-2-ylheptan-4-amine
CID 105113307
ethane;2-pentylthiophene
CID 143883800
1-cyclopropyl-N-methyl-6-thiophen-2-ylhexan-3-amine
CID 105157838
(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 42077642

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-thiophen-2-yldodecan-3-amine?
The IUPAC name of N-methyl-1-thiophen-2-yldodecan-3-amine (CID 115860959) is N-methyl-1-thiophen-2-yldodecan-3-amine.
What is the SMILES notation for N-methyl-1-thiophen-2-yldodecan-3-amine?
The canonical SMILES for N-methyl-1-thiophen-2-yldodecan-3-amine is CCCCCCCCCC(CCc1cccs1)NC.
What is the InChIKey of N-methyl-1-thiophen-2-yldodecan-3-amine?
The InChIKey is TUDSOUUTSKTCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NS/c1-3-4-5-6-7-8-9-11-16(18-2)13-14-17-12-10-15-19-17/h10,12,15-16,18H,3-9,11,13-14H2,1-2H3.
What are the key properties of N-methyl-1-thiophen-2-yldodecan-3-amine?
N-methyl-1-thiophen-2-yldodecan-3-amine has a molecular weight of 281.51 g/mol, XLogP of 5.41, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-thiophen-2-yldodecan-3-amine is sourced from PubChem (CID 115860959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).