3,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine

C14H24N2S — CID 64742874

IUPAC3,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine
SMILESCc1ncsc1CCNC1CCC(C)C(C)C1
InChIInChI=1S/C14H24N2S/c1-10-4-5-13(8-11(10)2)15-7-6-14-12(3)16-9-17-14/h9-11,13,15H,4-8H2,1-3H3
InChIKeyCRLQWQATXJWFMS-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.41
Rot. Bonds4

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

3,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine (PubChem CID 64742874) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine
PubChem CID64742874
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name3,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine
SMILESCc1ncsc1CCNC1CCC(C)C(C)C1
InChIInChI=1S/C14H24N2S/c1-10-4-5-13(8-11(10)2)15-7-6-14-12(3)16-9-17-14/h9-11,13,15H,4-8H2,1-3H3
InChIKeyCRLQWQATXJWFMS-UHFFFAOYSA-N
XLogP3.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine (CID 64742874) is 3,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine is Cc1ncsc1CCNC1CCC(C)C(C)C1.
What is the InChIKey of 3,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine?
The InChIKey is CRLQWQATXJWFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-10-4-5-13(8-11(10)2)15-7-6-14-12(3)16-9-17-14/h9-11,13,15H,4-8H2,1-3H3.
What are the key properties of 3,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine?
3,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 3.41, 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-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 64742874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).