N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclohexylethyl]cyclopropanamine

C18H30N2S — CID 63405268

IUPACN-[1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclohexylethyl]cyclopropanamine
SMILESCC(C)(C)c1csc(C(C)(NC2CC2)C2CCCCC2)n1
InChIInChI=1S/C18H30N2S/c1-17(2,3)15-12-21-16(19-15)18(4,20-14-10-11-14)13-8-6-5-7-9-13/h12-14,20H,5-11H2,1-4H3
InChIKeyDEWJTPHLRIYZII-UHFFFAOYSA-N
MW306.52 g/mol
LogP4.99
Rot. Bonds4

About N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclohexylethyl]cyclopropanamine

N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclohexylethyl]cyclopropanamine (PubChem CID 63405268) has the molecular formula C18H30N2S and a molecular weight of 306.52 g/mol. Its IUPAC name is N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclohexylethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclohexylethyl]cyclopropanamine
PubChem CID63405268
Molecular FormulaC18H30N2S
Molecular Weight306.52 g/mol
Exact Mass306.21
IUPAC NameN-[1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclohexylethyl]cyclopropanamine
SMILESCC(C)(C)c1csc(C(C)(NC2CC2)C2CCCCC2)n1
InChIInChI=1S/C18H30N2S/c1-17(2,3)15-12-21-16(19-15)18(4,20-14-10-11-14)13-8-6-5-7-9-13/h12-14,20H,5-11H2,1-4H3
InChIKeyDEWJTPHLRIYZII-UHFFFAOYSA-N
XLogP4.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-cyclopentyl-1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanamine
CID 55096963
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-ethylethanamine
CID 62634123
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)heptan-2-yl]cyclopropanamine
CID 80558537
1-cyclohexyl-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine
CID 61330765
N-[1-cyclopropyl-1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine
CID 61334262
N-[1-cyclopentyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanamine
CID 62632490
N-[(4-tert-butyl-1,3-thiazol-2-yl)-cyclopentylmethyl]cyclopropanamine
CID 62070387
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopropyl-N-methylpropan-1-amine
CID 64918893
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-cyclopentylpropane-1,3-diol
CID 115927169
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-methylmethanamine
CID 62071433
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cycloheptyl-N-methylpropan-2-amine
CID 105015894
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 79817647

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclohexylethyl]cyclopropanamine?
The IUPAC name of N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclohexylethyl]cyclopropanamine (CID 63405268) is N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclohexylethyl]cyclopropanamine.
What is the SMILES notation for N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclohexylethyl]cyclopropanamine?
The canonical SMILES for N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclohexylethyl]cyclopropanamine is CC(C)(C)c1csc(C(C)(NC2CC2)C2CCCCC2)n1.
What is the InChIKey of N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclohexylethyl]cyclopropanamine?
The InChIKey is DEWJTPHLRIYZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2S/c1-17(2,3)15-12-21-16(19-15)18(4,20-14-10-11-14)13-8-6-5-7-9-13/h12-14,20H,5-11H2,1-4H3.
What are the key properties of N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclohexylethyl]cyclopropanamine?
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclohexylethyl]cyclopropanamine has a molecular weight of 306.52 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclohexylethyl]cyclopropanamine is sourced from PubChem (CID 63405268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).