N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yloxan-4-amine

C16H27NOS — CID 80526351

IUPACN-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yloxan-4-amine
SMILESCC(C)C1CC(NCC(C)(C)c2cccs2)CCO1
InChIInChI=1S/C16H27NOS/c1-12(2)14-10-13(7-8-18-14)17-11-16(3,4)15-6-5-9-19-15/h5-6,9,12-14,17H,7-8,10-11H2,1-4H3
InChIKeyQKJNPFYXZRXTSU-UHFFFAOYSA-N
MW281.46 g/mol
LogP3.82
Rot. Bonds5

About N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yloxan-4-amine

N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yloxan-4-amine (PubChem CID 80526351) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yloxan-4-amine.

Molecular Properties

Compound NameN-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yloxan-4-amine
PubChem CID80526351
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC NameN-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yloxan-4-amine
SMILESCC(C)C1CC(NCC(C)(C)c2cccs2)CCO1
InChIInChI=1S/C16H27NOS/c1-12(2)14-10-13(7-8-18-14)17-11-16(3,4)15-6-5-9-19-15/h5-6,9,12-14,17H,7-8,10-11H2,1-4H3
InChIKeyQKJNPFYXZRXTSU-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yloxan-4-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-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolan-3-amine
CID 115338696
3-(2-methylpropyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 107428609
3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 104859799
N-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine
CID 80526034
1,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine
CID 81344411
3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80527427
N-(2-methyl-2-thiophen-2-ylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 80526769
2,2-dimethyl-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol
CID 115359250
N-(2-methyl-2-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine
CID 114817785
N-(2-methyl-2-thiophen-2-ylpropyl)-1-oxothian-4-amine
CID 80526167
4-(2-methylbutan-2-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80526485
3,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine
CID 80706060

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yloxan-4-amine?
The IUPAC name of N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yloxan-4-amine (CID 80526351) is N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yloxan-4-amine.
What is the SMILES notation for N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yloxan-4-amine?
The canonical SMILES for N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yloxan-4-amine is CC(C)C1CC(NCC(C)(C)c2cccs2)CCO1.
What is the InChIKey of N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yloxan-4-amine?
The InChIKey is QKJNPFYXZRXTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-12(2)14-10-13(7-8-18-14)17-11-16(3,4)15-6-5-9-19-15/h5-6,9,12-14,17H,7-8,10-11H2,1-4H3.
What are the key properties of N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yloxan-4-amine?
N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yloxan-4-amine has a molecular weight of 281.46 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-yloxan-4-amine is sourced from PubChem (CID 80526351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).