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

C15H24N2S — CID 65390861

IUPACN-[[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC1(C)CCC(c2ncc(CNC3CC3)s2)CC1
InChIInChI=1S/C15H24N2S/c1-15(2)7-5-11(6-8-15)14-17-10-13(18-14)9-16-12-3-4-12/h10-12,16H,3-9H2,1-2H3
InChIKeyJMURJQZBSNKDPY-UHFFFAOYSA-N
MW264.44 g/mol
LogP4.08
Rot. Bonds4

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

N-[[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 65390861) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is N-[[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID65390861
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC NameN-[[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC1(C)CCC(c2ncc(CNC3CC3)s2)CC1
InChIInChI=1S/C15H24N2S/c1-15(2)7-5-11(6-8-15)14-17-10-13(18-14)9-16-12-3-4-12/h10-12,16H,3-9H2,1-2H3
InChIKeyJMURJQZBSNKDPY-UHFFFAOYSA-N
XLogP4.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 54.08
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)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 65390861) is N-[[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is CC1(C)CCC(c2ncc(CNC3CC3)s2)CC1.
What is the InChIKey of N-[[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is JMURJQZBSNKDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-15(2)7-5-11(6-8-15)14-17-10-13(18-14)9-16-12-3-4-12/h10-12,16H,3-9H2,1-2H3.
What are the key properties of N-[[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 264.44 g/mol, XLogP of 4.08, 4 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)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65390861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).