3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)cyclohexan-1-amine

C13H22N2S — CID 107429493

IUPAC3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(N)(c2nccs2)C1
InChIInChI=1S/C13H22N2S/c1-10(2)8-11-4-3-5-13(14,9-11)12-15-6-7-16-12/h6-7,10-11H,3-5,8-9,14H2,1-2H3
InChIKeyGYNNKDKLRQHPIL-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.53
Rot. Bonds3

About 3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)cyclohexan-1-amine

3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)cyclohexan-1-amine (PubChem CID 107429493) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
PubChem CID107429493
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(N)(c2nccs2)C1
InChIInChI=1S/C13H22N2S/c1-10(2)8-11-4-3-5-13(14,9-11)12-15-6-7-16-12/h6-7,10-11H,3-5,8-9,14H2,1-2H3
InChIKeyGYNNKDKLRQHPIL-UHFFFAOYSA-N
XLogP3.53
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine
CID 103563874
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107429525
3-(2-methylpropyl)-1-(3-propan-2-yloxyphenyl)cyclohexan-1-amine
CID 107430117
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107429503
1-(3,5-dimethylcyclohexyl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107429945
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
5-(2-methylpropyl)-1-oxaspiro[2.5]octane
CID 107430385
[7-(2-methylpropyl)spiro[2.5]octan-2-yl]methanamine
CID 107430357
1-(3-chlorothiophen-2-yl)-3-ethylcyclohexan-1-amine
CID 107359280
1-(3-methoxypyrazin-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429636
4-ethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine
CID 65086079
1-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107430135

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)cyclohexan-1-amine (CID 107429493) is 3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)cyclohexan-1-amine is CC(C)CC1CCCC(N)(c2nccs2)C1.
What is the InChIKey of 3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)cyclohexan-1-amine?
The InChIKey is GYNNKDKLRQHPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10(2)8-11-4-3-5-13(14,9-11)12-15-6-7-16-12/h6-7,10-11H,3-5,8-9,14H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)cyclohexan-1-amine?
3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)cyclohexan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 107429493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).