2-ethyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)hexan-1-amine

C17H31NS — CID 55197007

IUPAC2-ethyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)hexan-1-amine
SMILESCCCCC(CC)(CNCC(C)C)Cc1cccs1
InChIInChI=1S/C17H31NS/c1-5-7-10-17(6-2,14-18-13-15(3)4)12-16-9-8-11-19-16/h8-9,11,15,18H,5-7,10,12-14H2,1-4H3
InChIKeySAXLZLPZANUFIR-UHFFFAOYSA-N
MW281.51 g/mol
LogP5.12
Rot. Bonds10

About 2-ethyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)hexan-1-amine

2-ethyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)hexan-1-amine (PubChem CID 55197007) has the molecular formula C17H31NS and a molecular weight of 281.51 g/mol. Its IUPAC name is 2-ethyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)hexan-1-amine
PubChem CID55197007
Molecular FormulaC17H31NS
Molecular Weight281.51 g/mol
Exact Mass281.22
IUPAC Name2-ethyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)hexan-1-amine
SMILESCCCCC(CC)(CNCC(C)C)Cc1cccs1
InChIInChI=1S/C17H31NS/c1-5-7-10-17(6-2,14-18-13-15(3)4)12-16-9-8-11-19-16/h8-9,11,15,18H,5-7,10,12-14H2,1-4H3
InChIKeySAXLZLPZANUFIR-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.51
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)hexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-diethyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
CID 63773755
2-ethyl-2-(thiophen-2-ylmethyl)hexan-1-amine
CID 62725494
2-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethyl)pentan-1-amine
CID 55237684
2-ethyl-N,2-bis(2-methylpropyl)hexan-1-amine
CID 55220449
2-ethyl-N-methyl-2-(2-thiophen-2-ylethyl)hexan-1-amine
CID 63773571
2-methyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)but-3-en-1-amine
CID 102641460
2-[2,2-bis(bromomethyl)butyl]thiophene
CID 79456515
2-butyl-2,4-diethyl-N-(2-methylpropyl)hexan-1-amine
CID 82930649
2,2-diethyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 63773575
2-ethyl-N-(2-methylpropyl)-2-(thiophen-3-ylmethyl)butan-1-amine
CID 55106895
N-[2-ethyl-2-(thiophen-2-ylmethyl)butyl]cyclopropanamine
CID 62723656
2-ethyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)hexan-1-amine
CID 63508789

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)hexan-1-amine?
The IUPAC name of 2-ethyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)hexan-1-amine (CID 55197007) is 2-ethyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)hexan-1-amine?
The canonical SMILES for 2-ethyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)hexan-1-amine is CCCCC(CC)(CNCC(C)C)Cc1cccs1.
What is the InChIKey of 2-ethyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)hexan-1-amine?
The InChIKey is SAXLZLPZANUFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NS/c1-5-7-10-17(6-2,14-18-13-15(3)4)12-16-9-8-11-19-16/h8-9,11,15,18H,5-7,10,12-14H2,1-4H3.
What are the key properties of 2-ethyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)hexan-1-amine?
2-ethyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)hexan-1-amine has a molecular weight of 281.51 g/mol, XLogP of 5.12, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)hexan-1-amine is sourced from PubChem (CID 55197007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).