4-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-2-amine

C15H24N2O — CID 62465669

IUPAC4-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-2-amine
SMILESCC1CC(OCc2ccnc(N)c2)CC(C)(C)C1
InChIInChI=1S/C15H24N2O/c1-11-6-13(9-15(2,3)8-11)18-10-12-4-5-17-14(16)7-12/h4-5,7,11,13H,6,8-10H2,1-3H3,(H2,16,17)
InChIKeyQIKRLZHOFVEGIK-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.40
Rot. Bonds3

About 4-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-2-amine

4-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-2-amine (PubChem CID 62465669) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-2-amine
PubChem CID62465669
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-2-amine
SMILESCC1CC(OCc2ccnc(N)c2)CC(C)(C)C1
InChIInChI=1S/C15H24N2O/c1-11-6-13(9-15(2,3)8-11)18-10-12-4-5-17-14(16)7-12/h4-5,7,11,13H,6,8-10H2,1-3H3,(H2,16,17)
InChIKeyQIKRLZHOFVEGIK-UHFFFAOYSA-N
XLogP3.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-2-amine?
The IUPAC name of 4-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-2-amine (CID 62465669) is 4-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-2-amine.
What is the SMILES notation for 4-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-2-amine?
The canonical SMILES for 4-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-2-amine is CC1CC(OCc2ccnc(N)c2)CC(C)(C)C1.
What is the InChIKey of 4-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-2-amine?
The InChIKey is QIKRLZHOFVEGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-6-13(9-15(2,3)8-11)18-10-12-4-5-17-14(16)7-12/h4-5,7,11,13H,6,8-10H2,1-3H3,(H2,16,17).
What are the key properties of 4-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-2-amine?
4-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-2-amine has a molecular weight of 248.37 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3,5-trimethylcyclohexyl)oxymethyl]pyridin-2-amine is sourced from PubChem (CID 62465669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).