N-[1-(1-ethoxycyclopentyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine

C16H28N2OS — CID 116762382

IUPACN-[1-(1-ethoxycyclopentyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1csc(C)n1)C1(OCC)CCCC1
InChIInChI=1S/C16H28N2OS/c1-4-10-17-15(11-14-12-20-13(3)18-14)16(19-5-2)8-6-7-9-16/h12,15,17H,4-11H2,1-3H3
InChIKeyPNVUJRPFHWWJED-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.71
Rot. Bonds8

About N-[1-(1-ethoxycyclopentyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine

N-[1-(1-ethoxycyclopentyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine (PubChem CID 116762382) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-[1-(1-ethoxycyclopentyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-ethoxycyclopentyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
PubChem CID116762382
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-[1-(1-ethoxycyclopentyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1csc(C)n1)C1(OCC)CCCC1
InChIInChI=1S/C16H28N2OS/c1-4-10-17-15(11-14-12-20-13(3)18-14)16(19-5-2)8-6-7-9-16/h12,15,17H,4-11H2,1-3H3
InChIKeyPNVUJRPFHWWJED-UHFFFAOYSA-N
XLogP3.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(1-ethoxycyclopentyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-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

1-(1-ethoxycyclohexyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 116763827
N-[1-(4-methoxyoxan-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 116765137
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 116767135
1-(1-ethoxycyclohexyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 116764166
N-[1-(1-ethoxycyclopentyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 116762441
1-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 62797585
1-(1-ethoxycyclopentyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 116762402
1-(2-methyl-1,3-thiazol-4-yl)-N-propylhexan-2-amine
CID 62799003
5-ethoxy-1-(2-methyl-1,3-thiazol-4-yl)-N-propylpentan-2-amine
CID 105159138
N-[1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 105159068
1-(2-methyl-1,3-thiazol-4-yl)-N,3-dipropylhexan-2-amine
CID 104996994
1-(2-methyl-1,3-thiazol-4-yl)-N-propylheptan-2-amine
CID 55129851

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethoxycyclopentyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1-ethoxycyclopentyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine (CID 116762382) is N-[1-(1-ethoxycyclopentyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-ethoxycyclopentyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-ethoxycyclopentyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1csc(C)n1)C1(OCC)CCCC1.
What is the InChIKey of N-[1-(1-ethoxycyclopentyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
The InChIKey is PNVUJRPFHWWJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-4-10-17-15(11-14-12-20-13(3)18-14)16(19-5-2)8-6-7-9-16/h12,15,17H,4-11H2,1-3H3.
What are the key properties of N-[1-(1-ethoxycyclopentyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
N-[1-(1-ethoxycyclopentyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine has a molecular weight of 296.48 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethoxycyclopentyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 116762382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).