(3,5-dimethylcyclohexyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine

C14H24N2S — CID 114033768

IUPAC(3,5-dimethylcyclohexyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine
SMILESCc1nc(C)c(C(N)C2CC(C)CC(C)C2)s1
InChIInChI=1S/C14H24N2S/c1-8-5-9(2)7-12(6-8)13(15)14-10(3)16-11(4)17-14/h8-9,12-13H,5-7,15H2,1-4H3
InChIKeyLRBCDMDSGMCLSD-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.83
Rot. Bonds2

About (3,5-dimethylcyclohexyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine

(3,5-dimethylcyclohexyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine (PubChem CID 114033768) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine
PubChem CID114033768
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name(3,5-dimethylcyclohexyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine
SMILESCc1nc(C)c(C(N)C2CC(C)CC(C)C2)s1
InChIInChI=1S/C14H24N2S/c1-8-5-9(2)7-12(6-8)13(15)14-10(3)16-11(4)17-14/h8-9,12-13H,5-7,15H2,1-4H3
InChIKeyLRBCDMDSGMCLSD-UHFFFAOYSA-N
XLogP3.83
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of (3,5-dimethylcyclohexyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine (CID 114033768) is (3,5-dimethylcyclohexyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for (3,5-dimethylcyclohexyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for (3,5-dimethylcyclohexyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine is Cc1nc(C)c(C(N)C2CC(C)CC(C)C2)s1.
What is the InChIKey of (3,5-dimethylcyclohexyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine?
The InChIKey is LRBCDMDSGMCLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-8-5-9(2)7-12(6-8)13(15)14-10(3)16-11(4)17-14/h8-9,12-13H,5-7,15H2,1-4H3.
What are the key properties of (3,5-dimethylcyclohexyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine?
(3,5-dimethylcyclohexyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine has a molecular weight of 252.43 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 114033768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).