4,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-amine

C12H20N2S — CID 165497877

IUPAC4,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-amine
SMILESCc1cc(C2CC(N)CCC2(C)C)sn1
InChIInChI=1S/C12H20N2S/c1-8-6-11(15-14-8)10-7-9(13)4-5-12(10,2)3/h6,9-10H,4-5,7,13H2,1-3H3
InChIKeyQMQFPHKFGWDQND-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.07
Rot. Bonds1

About 4,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-amine

4,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-amine (PubChem CID 165497877) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 4,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-amine
PubChem CID165497877
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name4,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-amine
SMILESCc1cc(C2CC(N)CCC2(C)C)sn1
InChIInChI=1S/C12H20N2S/c1-8-6-11(15-14-8)10-7-9(13)4-5-12(10,2)3/h6,9-10H,4-5,7,13H2,1-3H3
InChIKeyQMQFPHKFGWDQND-UHFFFAOYSA-N
XLogP3.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-amine?
The IUPAC name of 4,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-amine (CID 165497877) is 4,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-amine.
What is the SMILES notation for 4,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-amine?
The canonical SMILES for 4,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-amine is Cc1cc(C2CC(N)CCC2(C)C)sn1.
What is the InChIKey of 4,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-amine?
The InChIKey is QMQFPHKFGWDQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-8-6-11(15-14-8)10-7-9(13)4-5-12(10,2)3/h6,9-10H,4-5,7,13H2,1-3H3.
What are the key properties of 4,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-amine?
4,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-amine has a molecular weight of 224.37 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-amine is sourced from PubChem (CID 165497877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).