3,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine

C13H22N2S — CID 64745631

IUPAC3,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
SMILESCC1CCC(NCCc2nccs2)CC1C
InChIInChI=1S/C13H22N2S/c1-10-3-4-12(9-11(10)2)14-6-5-13-15-7-8-16-13/h7-8,10-12,14H,3-6,9H2,1-2H3
InChIKeyZLXJDZPTTVAXIT-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.10
Rot. Bonds4

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

3,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine (PubChem CID 64745631) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
PubChem CID64745631
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name3,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
SMILESCC1CCC(NCCc2nccs2)CC1C
InChIInChI=1S/C13H22N2S/c1-10-3-4-12(9-11(10)2)14-6-5-13-15-7-8-16-13/h7-8,10-12,14H,3-6,9H2,1-2H3
InChIKeyZLXJDZPTTVAXIT-UHFFFAOYSA-N
XLogP3.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine
CID 79459271
3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 103561913
3,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine
CID 64742874
4-(2-methylbutan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 63242595
3,4-dimethyl-N-(2-pyridin-4-ylethyl)cyclohexan-1-amine
CID 64746199
1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]azepan-4-amine
CID 65075080
N'-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 63240568
2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thian-3-amine
CID 79957326
N-propyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 79824744
3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 64745635
3-(4-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 63242564
4-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 58902693

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine (CID 64745631) is 3,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine is CC1CCC(NCCc2nccs2)CC1C.
What is the InChIKey of 3,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine?
The InChIKey is ZLXJDZPTTVAXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10-3-4-12(9-11(10)2)14-6-5-13-15-7-8-16-13/h7-8,10-12,14H,3-6,9H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine?
3,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 64745631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).