N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanamine

C11H18N2S — CID 52525748

IUPACN-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanamine
SMILESCN(Cc1cscn1)C1CCCCC1
InChIInChI=1S/C11H18N2S/c1-13(7-10-8-14-9-12-10)11-5-3-2-4-6-11/h8-9,11H,2-7H2,1H3
InChIKeyCRXBPERWIUEWHA-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.91
Rot. Bonds3

About N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanamine

N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanamine (PubChem CID 52525748) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanamine
PubChem CID52525748
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanamine
SMILESCN(Cc1cscn1)C1CCCCC1
InChIInChI=1S/C11H18N2S/c1-13(7-10-8-14-9-12-10)11-5-3-2-4-6-11/h8-9,11H,2-7H2,1H3
InChIKeyCRXBPERWIUEWHA-UHFFFAOYSA-N
XLogP2.91
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanamine?
The IUPAC name of N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanamine (CID 52525748) is N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanamine.
What is the SMILES notation for N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanamine?
The canonical SMILES for N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanamine is CN(Cc1cscn1)C1CCCCC1.
What is the InChIKey of N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanamine?
The InChIKey is CRXBPERWIUEWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-13(7-10-8-14-9-12-10)11-5-3-2-4-6-11/h8-9,11H,2-7H2,1H3.
What are the key properties of N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanamine?
N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanamine has a molecular weight of 210.35 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexanamine is sourced from PubChem (CID 52525748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).