[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine

C17H30N2OS — CID 114361180

IUPAC[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(C2(OCC)CCC(C)(C)CC2)sc1CN
InChIInChI=1S/C17H30N2OS/c1-5-7-13-14(12-18)21-15(19-13)17(20-6-2)10-8-16(3,4)9-11-17/h5-12,18H2,1-4H3
InChIKeyFTNKDZASOUQZBZ-UHFFFAOYSA-N
MW310.51 g/mol
LogP4.39
Rot. Bonds6

About [2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine

[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine (PubChem CID 114361180) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is [2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine
PubChem CID114361180
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC Name[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(C2(OCC)CCC(C)(C)CC2)sc1CN
InChIInChI=1S/C17H30N2OS/c1-5-7-13-14(12-18)21-15(19-13)17(20-6-2)10-8-16(3,4)9-11-17/h5-12,18H2,1-4H3
InChIKeyFTNKDZASOUQZBZ-UHFFFAOYSA-N
XLogP4.39
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine (CID 114361180) is [2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine is CCCc1nc(C2(OCC)CCC(C)(C)CC2)sc1CN.
What is the InChIKey of [2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is FTNKDZASOUQZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-5-7-13-14(12-18)21-15(19-13)17(20-6-2)10-8-16(3,4)9-11-17/h5-12,18H2,1-4H3.
What are the key properties of [2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 310.51 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).