4-(cyclohexylmethoxymethyl)-N-methylpyridin-2-amine

C14H22N2O — CID 62468185

IUPAC4-(cyclohexylmethoxymethyl)-N-methylpyridin-2-amine
SMILESCNc1cc(COCC2CCCCC2)ccn1
InChIInChI=1S/C14H22N2O/c1-15-14-9-13(7-8-16-14)11-17-10-12-5-3-2-4-6-12/h7-9,12H,2-6,10-11H2,1H3,(H,15,16)
InChIKeySQJOGTDIGHUGNZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.22
Rot. Bonds5

About 4-(cyclohexylmethoxymethyl)-N-methylpyridin-2-amine

4-(cyclohexylmethoxymethyl)-N-methylpyridin-2-amine (PubChem CID 62468185) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(cyclohexylmethoxymethyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(cyclohexylmethoxymethyl)-N-methylpyridin-2-amine
PubChem CID62468185
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-(cyclohexylmethoxymethyl)-N-methylpyridin-2-amine
SMILESCNc1cc(COCC2CCCCC2)ccn1
InChIInChI=1S/C14H22N2O/c1-15-14-9-13(7-8-16-14)11-17-10-12-5-3-2-4-6-12/h7-9,12H,2-6,10-11H2,1H3,(H,15,16)
InChIKeySQJOGTDIGHUGNZ-UHFFFAOYSA-N
XLogP3.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxymethyl)-N-methylpyridin-2-amine?
The IUPAC name of 4-(cyclohexylmethoxymethyl)-N-methylpyridin-2-amine (CID 62468185) is 4-(cyclohexylmethoxymethyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 4-(cyclohexylmethoxymethyl)-N-methylpyridin-2-amine?
The canonical SMILES for 4-(cyclohexylmethoxymethyl)-N-methylpyridin-2-amine is CNc1cc(COCC2CCCCC2)ccn1.
What is the InChIKey of 4-(cyclohexylmethoxymethyl)-N-methylpyridin-2-amine?
The InChIKey is SQJOGTDIGHUGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-15-14-9-13(7-8-16-14)11-17-10-12-5-3-2-4-6-12/h7-9,12H,2-6,10-11H2,1H3,(H,15,16).
What are the key properties of 4-(cyclohexylmethoxymethyl)-N-methylpyridin-2-amine?
4-(cyclohexylmethoxymethyl)-N-methylpyridin-2-amine has a molecular weight of 234.34 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxymethyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 62468185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).