[4,4-dimethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine

C14H24N2S — CID 65389989

IUPAC[4,4-dimethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine
SMILESCc1ncc(CC2(CN)CCC(C)(C)CC2)s1
InChIInChI=1S/C14H24N2S/c1-11-16-9-12(17-11)8-14(10-15)6-4-13(2,3)5-7-14/h9H,4-8,10,15H2,1-3H3
InChIKeyBJOALYGSBTXXCA-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.54
Rot. Bonds3

About [4,4-dimethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine

[4,4-dimethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine (PubChem CID 65389989) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is [4,4-dimethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4,4-dimethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine
PubChem CID65389989
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name[4,4-dimethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine
SMILESCc1ncc(CC2(CN)CCC(C)(C)CC2)s1
InChIInChI=1S/C14H24N2S/c1-11-16-9-12(17-11)8-14(10-15)6-4-13(2,3)5-7-14/h9H,4-8,10,15H2,1-3H3
InChIKeyBJOALYGSBTXXCA-UHFFFAOYSA-N
XLogP3.54
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of [4,4-dimethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine (CID 65389989) is [4,4-dimethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4,4-dimethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [4,4-dimethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine is Cc1ncc(CC2(CN)CCC(C)(C)CC2)s1.
What is the InChIKey of [4,4-dimethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine?
The InChIKey is BJOALYGSBTXXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-11-16-9-12(17-11)8-14(10-15)6-4-13(2,3)5-7-14/h9H,4-8,10,15H2,1-3H3.
What are the key properties of [4,4-dimethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine?
[4,4-dimethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine has a molecular weight of 252.43 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 65389989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).