2,2,5-trimethyl-N-(thiophen-2-ylmethyl)hexan-3-amine

C14H25NS — CID 115641765

IUPAC2,2,5-trimethyl-N-(thiophen-2-ylmethyl)hexan-3-amine
SMILESCC(C)CC(NCc1cccs1)C(C)(C)C
InChIInChI=1S/C14H25NS/c1-11(2)9-13(14(3,4)5)15-10-12-7-6-8-16-12/h6-8,11,13,15H,9-10H2,1-5H3
InChIKeyMCSGPSANBPOZPC-UHFFFAOYSA-N
MW239.43 g/mol
LogP4.30
Rot. Bonds5

About 2,2,5-trimethyl-N-(thiophen-2-ylmethyl)hexan-3-amine

2,2,5-trimethyl-N-(thiophen-2-ylmethyl)hexan-3-amine (PubChem CID 115641765) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 2,2,5-trimethyl-N-(thiophen-2-ylmethyl)hexan-3-amine.

Molecular Properties

Compound Name2,2,5-trimethyl-N-(thiophen-2-ylmethyl)hexan-3-amine
PubChem CID115641765
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name2,2,5-trimethyl-N-(thiophen-2-ylmethyl)hexan-3-amine
SMILESCC(C)CC(NCc1cccs1)C(C)(C)C
InChIInChI=1S/C14H25NS/c1-11(2)9-13(14(3,4)5)15-10-12-7-6-8-16-12/h6-8,11,13,15H,9-10H2,1-5H3
InChIKeyMCSGPSANBPOZPC-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,5-trimethyl-N-(thiophen-2-ylmethyl)hexan-3-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

4-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile
CID 61005240
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
(2R,3S)-3-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine
CID 28669346
(2S)-N-(thiophen-2-ylmethyl)hex-5-en-2-amine
CID 97358797
1-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 115615676
2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 21304833
amino-(thiophen-2-ylmethylamino)methanol
CID 138478180
5-methyl-3-[(thiophen-2-ylmethylamino)methyl]hexan-1-ol
CID 111498599
N-(thiophen-2-ylmethyl)hept-6-en-2-amine
CID 115908870
3-(thiophen-2-ylmethylamino)butanoic acid
CID 43536918
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43769306
4-cyclopentyl-N-(thiophen-2-ylmethyl)butan-2-amine
CID 115644666

Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-N-(thiophen-2-ylmethyl)hexan-3-amine?
The IUPAC name of 2,2,5-trimethyl-N-(thiophen-2-ylmethyl)hexan-3-amine (CID 115641765) is 2,2,5-trimethyl-N-(thiophen-2-ylmethyl)hexan-3-amine.
What is the SMILES notation for 2,2,5-trimethyl-N-(thiophen-2-ylmethyl)hexan-3-amine?
The canonical SMILES for 2,2,5-trimethyl-N-(thiophen-2-ylmethyl)hexan-3-amine is CC(C)CC(NCc1cccs1)C(C)(C)C.
What is the InChIKey of 2,2,5-trimethyl-N-(thiophen-2-ylmethyl)hexan-3-amine?
The InChIKey is MCSGPSANBPOZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-11(2)9-13(14(3,4)5)15-10-12-7-6-8-16-12/h6-8,11,13,15H,9-10H2,1-5H3.
What are the key properties of 2,2,5-trimethyl-N-(thiophen-2-ylmethyl)hexan-3-amine?
2,2,5-trimethyl-N-(thiophen-2-ylmethyl)hexan-3-amine has a molecular weight of 239.43 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-N-(thiophen-2-ylmethyl)hexan-3-amine is sourced from PubChem (CID 115641765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).