N-methyl-N-(2-thiophen-2-ylethyl)decan-1-amine

C17H31NS — CID 6424912

IUPACN-methyl-N-(2-thiophen-2-ylethyl)decan-1-amine
SMILESCCCCCCCCCCN(C)CCc1cccs1
InChIInChI=1S/C17H31NS/c1-3-4-5-6-7-8-9-10-14-18(2)15-13-17-12-11-16-19-17/h11-12,16H,3-10,13-15H2,1-2H3
InChIKeyOZSURVPJJOZBIX-UHFFFAOYSA-N
MW281.51 g/mol
LogP5.36
Rot. Bonds12

About N-methyl-N-(2-thiophen-2-ylethyl)decan-1-amine

N-methyl-N-(2-thiophen-2-ylethyl)decan-1-amine (PubChem CID 6424912) has the molecular formula C17H31NS and a molecular weight of 281.51 g/mol. Its IUPAC name is N-methyl-N-(2-thiophen-2-ylethyl)decan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(2-thiophen-2-ylethyl)decan-1-amine
PubChem CID6424912
Molecular FormulaC17H31NS
Molecular Weight281.51 g/mol
Exact Mass281.22
IUPAC NameN-methyl-N-(2-thiophen-2-ylethyl)decan-1-amine
SMILESCCCCCCCCCCN(C)CCc1cccs1
InChIInChI=1S/C17H31NS/c1-3-4-5-6-7-8-9-10-14-18(2)15-13-17-12-11-16-19-17/h11-12,16H,3-10,13-15H2,1-2H3
InChIKeyOZSURVPJJOZBIX-UHFFFAOYSA-N
XLogP5.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.51
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-thiophen-2-ylethyl)decan-1-amine?
The IUPAC name of N-methyl-N-(2-thiophen-2-ylethyl)decan-1-amine (CID 6424912) is N-methyl-N-(2-thiophen-2-ylethyl)decan-1-amine.
What is the SMILES notation for N-methyl-N-(2-thiophen-2-ylethyl)decan-1-amine?
The canonical SMILES for N-methyl-N-(2-thiophen-2-ylethyl)decan-1-amine is CCCCCCCCCCN(C)CCc1cccs1.
What is the InChIKey of N-methyl-N-(2-thiophen-2-ylethyl)decan-1-amine?
The InChIKey is OZSURVPJJOZBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NS/c1-3-4-5-6-7-8-9-10-14-18(2)15-13-17-12-11-16-19-17/h11-12,16H,3-10,13-15H2,1-2H3.
What are the key properties of N-methyl-N-(2-thiophen-2-ylethyl)decan-1-amine?
N-methyl-N-(2-thiophen-2-ylethyl)decan-1-amine has a molecular weight of 281.51 g/mol, XLogP of 5.36, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-thiophen-2-ylethyl)decan-1-amine is sourced from PubChem (CID 6424912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).