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

C16H28N2S — CID 105155197

IUPACN-[(4-ethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1csc(C)n1)C1CCC(CC)CC1
InChIInChI=1S/C16H28N2S/c1-4-10-17-16(15-11-19-12(3)18-15)14-8-6-13(5-2)7-9-14/h11,13-14,16-17H,4-10H2,1-3H3
InChIKeyJCJPOFCROCBCMN-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.71
Rot. Bonds6

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

N-[(4-ethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine (PubChem CID 105155197) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
PubChem CID105155197
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN-[(4-ethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1csc(C)n1)C1CCC(CC)CC1
InChIInChI=1S/C16H28N2S/c1-4-10-17-16(15-11-19-12(3)18-15)14-8-6-13(5-2)7-9-14/h11,13-14,16-17H,4-10H2,1-3H3
InChIKeyJCJPOFCROCBCMN-UHFFFAOYSA-N
XLogP4.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-ethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methyl]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

N-[1-(4-ethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 64774218
N-[(3-chloro-4-methylthiophen-2-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 103406324
N-[(2,6-dimethyl-4-pyridinyl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 107504016
N-[(5-bromothiophen-3-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 105155352
N-[(4-ethylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine
CID 64776035
1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105156041
1-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine
CID 105078510
N-[(4,5-dibromothiophen-2-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 104990742
N-[(3,6-dimethylpyridazin-4-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 105155357
N-[(4-ethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 102952192
N-[(2-methyl-1,3-thiazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 107138881
N-[(3,5-dichloro-2-pyridinyl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 79784078

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-ethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine (CID 105155197) is N-[(4-ethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-ethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine is CCCNC(c1csc(C)n1)C1CCC(CC)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine?
The InChIKey is JCJPOFCROCBCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-4-10-17-16(15-11-19-12(3)18-15)14-8-6-13(5-2)7-9-14/h11,13-14,16-17H,4-10H2,1-3H3.
What are the key properties of N-[(4-ethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine?
N-[(4-ethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 105155197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).