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5-(aminomethyl)-2-cyclohexyl-4-methylpyridin-3-amine

C13H21N3 — CID 151137406

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-(aminomethyl)-2-cyclohexyl-4-methylpyridin-3-amine
SMILESCc1c(CN)cnc(C2CCCCC2)c1N
InChIInChI=1S/C13H21N3/c1-9-11(7-14)8-16-13(12(9)15)10-5-3-2-4-6-10/h8,10H,2-7,14-15H2,1H3
InChIKeyMVMFXQMXGBOZQQ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.48
Rot. Bonds2

About 5-(aminomethyl)-2-cyclohexyl-4-methylpyridin-3-amine

5-(aminomethyl)-2-cyclohexyl-4-methylpyridin-3-amine (PubChem CID 151137406) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-(aminomethyl)-2-cyclohexyl-4-methylpyridin-3-amine.

Molecular Properties

Compound Name5-(aminomethyl)-2-cyclohexyl-4-methylpyridin-3-amine
PubChem CID151137406
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name5-(aminomethyl)-2-cyclohexyl-4-methylpyridin-3-amine
SMILESCc1c(CN)cnc(C2CCCCC2)c1N
InChIInChI=1S/C13H21N3/c1-9-11(7-14)8-16-13(12(9)15)10-5-3-2-4-6-10/h8,10H,2-7,14-15H2,1H3
InChIKeyMVMFXQMXGBOZQQ-UHFFFAOYSA-N
XLogP2.48
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-cyclohexyl-4-methylpyridin-3-amine?
The IUPAC name of 5-(aminomethyl)-2-cyclohexyl-4-methylpyridin-3-amine (CID 151137406) is 5-(aminomethyl)-2-cyclohexyl-4-methylpyridin-3-amine.
What is the SMILES notation for 5-(aminomethyl)-2-cyclohexyl-4-methylpyridin-3-amine?
The canonical SMILES for 5-(aminomethyl)-2-cyclohexyl-4-methylpyridin-3-amine is Cc1c(CN)cnc(C2CCCCC2)c1N.
What is the InChIKey of 5-(aminomethyl)-2-cyclohexyl-4-methylpyridin-3-amine?
The InChIKey is MVMFXQMXGBOZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9-11(7-14)8-16-13(12(9)15)10-5-3-2-4-6-10/h8,10H,2-7,14-15H2,1H3.
What are the key properties of 5-(aminomethyl)-2-cyclohexyl-4-methylpyridin-3-amine?
5-(aminomethyl)-2-cyclohexyl-4-methylpyridin-3-amine has a molecular weight of 219.33 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-cyclohexyl-4-methylpyridin-3-amine is sourced from PubChem (CID 151137406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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