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

C17H30N2OS — CID 116774617

IUPACN-[1-[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(C2(OCC)CCCC(C)C2)n1
InChIInChI=1S/C17H30N2OS/c1-5-10-18-14(4)15-12-21-16(19-15)17(20-6-2)9-7-8-13(3)11-17/h12-14,18H,5-11H2,1-4H3
InChIKeyKAMKGVBUQAQPTE-UHFFFAOYSA-N
MW310.51 g/mol
LogP4.65
Rot. Bonds7

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

N-[1-[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (PubChem CID 116774617) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is N-[1-[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
PubChem CID116774617
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC NameN-[1-[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(C2(OCC)CCCC(C)C2)n1
InChIInChI=1S/C17H30N2OS/c1-5-10-18-14(4)15-12-21-16(19-15)17(20-6-2)9-7-8-13(3)11-17/h12-14,18H,5-11H2,1-4H3
InChIKeyKAMKGVBUQAQPTE-UHFFFAOYSA-N
XLogP4.65
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (CID 116774617) is N-[1-[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is CCCNC(C)c1csc(C2(OCC)CCCC(C)C2)n1.
What is the InChIKey of N-[1-[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The InChIKey is KAMKGVBUQAQPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-5-10-18-14(4)15-12-21-16(19-15)17(20-6-2)9-7-8-13(3)11-17/h12-14,18H,5-11H2,1-4H3.
What are the key properties of N-[1-[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
N-[1-[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine has a molecular weight of 310.51 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 116774617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).