N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine

C17H28N2S — CID 104841773

IUPACN-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCc1nc(C2CCC(C)(C)CC2)sc1CNC1CC1
InChIInChI=1S/C17H28N2S/c1-4-14-15(11-18-13-5-6-13)20-16(19-14)12-7-9-17(2,3)10-8-12/h12-13,18H,4-11H2,1-3H3
InChIKeyMLNZPVNNVVSELP-UHFFFAOYSA-N
MW292.49 g/mol
LogP4.64
Rot. Bonds5

About N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 104841773) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID104841773
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC NameN-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCc1nc(C2CCC(C)(C)CC2)sc1CNC1CC1
InChIInChI=1S/C17H28N2S/c1-4-14-15(11-18-13-5-6-13)20-16(19-14)12-7-9-17(2,3)10-8-12/h12-13,18H,4-11H2,1-3H3
InChIKeyMLNZPVNNVVSELP-UHFFFAOYSA-N
XLogP4.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 104841773) is N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine is CCc1nc(C2CCC(C)(C)CC2)sc1CNC1CC1.
What is the InChIKey of N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is MLNZPVNNVVSELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-4-14-15(11-18-13-5-6-13)20-16(19-14)12-7-9-17(2,3)10-8-12/h12-13,18H,4-11H2,1-3H3.
What are the key properties of N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 292.49 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 104841773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).