1-[1-amino-2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N,N-dimethylcyclohexan-1-amine

C17H31N3S — CID 79825971

IUPAC1-[1-amino-2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(C(N)Cc2nc(C(C)(C)C)cs2)CCCCC1
InChIInChI=1S/C17H31N3S/c1-16(2,3)14-12-21-15(19-14)11-13(18)17(20(4)5)9-7-6-8-10-17/h12-13H,6-11,18H2,1-5H3
InChIKeyBTTRTHNDIPICAY-UHFFFAOYSA-N
MW309.52 g/mol
LogP3.57
Rot. Bonds4

About 1-[1-amino-2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N,N-dimethylcyclohexan-1-amine

1-[1-amino-2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 79825971) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is 1-[1-amino-2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[1-amino-2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID79825971
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC Name1-[1-amino-2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(C(N)Cc2nc(C(C)(C)C)cs2)CCCCC1
InChIInChI=1S/C17H31N3S/c1-16(2,3)14-12-21-15(19-14)11-13(18)17(20(4)5)9-7-6-8-10-17/h12-13H,6-11,18H2,1-5H3
InChIKeyBTTRTHNDIPICAY-UHFFFAOYSA-N
XLogP3.57
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79080656
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclohexyl)ethanamine
CID 107190144
5-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
CID 79817319
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine
CID 79820516
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
CID 79820663
1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312170
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol
CID 79828051
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propanedioic acid
CID 116868102
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cycloheptyl-N-methylpropan-2-amine
CID 105015894
1-(5-bromothiophen-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 105115581
1-(4-aminophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 106695410
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 111104396

Frequently Asked Questions

What is the IUPAC name of 1-[1-amino-2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[1-amino-2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N,N-dimethylcyclohexan-1-amine (CID 79825971) is 1-[1-amino-2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[1-amino-2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[1-amino-2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N,N-dimethylcyclohexan-1-amine is CN(C)C1(C(N)Cc2nc(C(C)(C)C)cs2)CCCCC1.
What is the InChIKey of 1-[1-amino-2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is BTTRTHNDIPICAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-16(2,3)14-12-21-15(19-14)11-13(18)17(20(4)5)9-7-6-8-10-17/h12-13H,6-11,18H2,1-5H3.
What are the key properties of 1-[1-amino-2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N,N-dimethylcyclohexan-1-amine?
1-[1-amino-2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 309.52 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-amino-2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79825971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).