1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2-methylpropyl)cyclohexan-1-amine

C17H30N2S — CID 107429508

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCCNC1(c2nc(C)c(C)s2)CCCC(CC(C)C)C1
InChIInChI=1S/C17H30N2S/c1-6-18-17(16-19-13(4)14(5)20-16)9-7-8-15(11-17)10-12(2)3/h12,15,18H,6-11H2,1-5H3
InChIKeyYYYUIFRFBGOOFZ-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.80
Rot. Bonds5

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2-methylpropyl)cyclohexan-1-amine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 107429508) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2-methylpropyl)cyclohexan-1-amine
PubChem CID107429508
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCCNC1(c2nc(C)c(C)s2)CCCC(CC(C)C)C1
InChIInChI=1S/C17H30N2S/c1-6-18-17(16-19-13(4)14(5)20-16)9-7-8-15(11-17)10-12(2)3/h12,15,18H,6-11H2,1-5H3
InChIKeyYYYUIFRFBGOOFZ-UHFFFAOYSA-N
XLogP4.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2-methylpropyl)cyclohexan-1-amine (CID 107429508) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2-methylpropyl)cyclohexan-1-amine is CCNC1(c2nc(C)c(C)s2)CCCC(CC(C)C)C1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is YYYUIFRFBGOOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-6-18-17(16-19-13(4)14(5)20-16)9-7-8-15(11-17)10-12(2)3/h12,15,18H,6-11H2,1-5H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2-methylpropyl)cyclohexan-1-amine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 107429508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).