2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine

C15H24N2O — CID 79259512

IUPAC2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine
SMILESCNc1ccnc(COC2CC(C)CC(C)C2)c1
InChIInChI=1S/C15H24N2O/c1-11-6-12(2)8-15(7-11)18-10-14-9-13(16-3)4-5-17-14/h4-5,9,11-12,15H,6-8,10H2,1-3H3,(H,16,17)
InChIKeyORNYWADYGQQGEK-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.46
Rot. Bonds4

About 2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine

2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine (PubChem CID 79259512) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine.

Molecular Properties

Compound Name2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine
PubChem CID79259512
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine
SMILESCNc1ccnc(COC2CC(C)CC(C)C2)c1
InChIInChI=1S/C15H24N2O/c1-11-6-12(2)8-15(7-11)18-10-14-9-13(16-3)4-5-17-14/h4-5,9,11-12,15H,6-8,10H2,1-3H3,(H,16,17)
InChIKeyORNYWADYGQQGEK-UHFFFAOYSA-N
XLogP3.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 135338
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CID 118741978
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CID 118742062
CID 118742062
CID 3024446
CID 3024446
CID 19353403
CID 19353403
CID 6456067
CID 6456067
CID 43672116
CID 43672116
CID 110113468
CID 110113468
CID 110270436
CID 110270436
CID 110271384
CID 110271384
CID 124245891
CID 124245891
CID 124245892
CID 124245892

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine?
The IUPAC name of 2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine (CID 79259512) is 2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine.
What is the SMILES notation for 2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine?
The canonical SMILES for 2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine is CNc1ccnc(COC2CC(C)CC(C)C2)c1.
What is the InChIKey of 2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine?
The InChIKey is ORNYWADYGQQGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-6-12(2)8-15(7-11)18-10-14-9-13(16-3)4-5-17-14/h4-5,9,11-12,15H,6-8,10H2,1-3H3,(H,16,17).
What are the key properties of 2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine?
2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine has a molecular weight of 248.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine is sourced from PubChem (CID 79259512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).