4-[[cyclohexyl(methyl)amino]methyl]-N-methylpyridin-2-amine

C14H23N3 — CID 62471655

IUPAC4-[[cyclohexyl(methyl)amino]methyl]-N-methylpyridin-2-amine
SMILESCNc1cc(CN(C)C2CCCCC2)ccn1
InChIInChI=1S/C14H23N3/c1-15-14-10-12(8-9-16-14)11-17(2)13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,15,16)
InChIKeyPSIWWTMIKKJLEI-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.89
Rot. Bonds4

About 4-[[cyclohexyl(methyl)amino]methyl]-N-methylpyridin-2-amine

4-[[cyclohexyl(methyl)amino]methyl]-N-methylpyridin-2-amine (PubChem CID 62471655) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-[[cyclohexyl(methyl)amino]methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-[[cyclohexyl(methyl)amino]methyl]-N-methylpyridin-2-amine
PubChem CID62471655
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-[[cyclohexyl(methyl)amino]methyl]-N-methylpyridin-2-amine
SMILESCNc1cc(CN(C)C2CCCCC2)ccn1
InChIInChI=1S/C14H23N3/c1-15-14-10-12(8-9-16-14)11-17(2)13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,15,16)
InChIKeyPSIWWTMIKKJLEI-UHFFFAOYSA-N
XLogP2.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[cyclohexyl(methyl)amino]methyl]-N-methylpyridin-2-amine?
The IUPAC name of 4-[[cyclohexyl(methyl)amino]methyl]-N-methylpyridin-2-amine (CID 62471655) is 4-[[cyclohexyl(methyl)amino]methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 4-[[cyclohexyl(methyl)amino]methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 4-[[cyclohexyl(methyl)amino]methyl]-N-methylpyridin-2-amine is CNc1cc(CN(C)C2CCCCC2)ccn1.
What is the InChIKey of 4-[[cyclohexyl(methyl)amino]methyl]-N-methylpyridin-2-amine?
The InChIKey is PSIWWTMIKKJLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-15-14-10-12(8-9-16-14)11-17(2)13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,15,16).
What are the key properties of 4-[[cyclohexyl(methyl)amino]methyl]-N-methylpyridin-2-amine?
4-[[cyclohexyl(methyl)amino]methyl]-N-methylpyridin-2-amine has a molecular weight of 233.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclohexyl(methyl)amino]methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 62471655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).