[4-(aminomethyl)cyclohexyl]-(6-methyl-3-pyridinyl)methanone

C14H20N2O — CID 116592296

IUPAC[4-(aminomethyl)cyclohexyl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)C2CCC(CN)CC2)cn1
InChIInChI=1S/C14H20N2O/c1-10-2-5-13(9-16-10)14(17)12-6-3-11(8-15)4-7-12/h2,5,9,11-12H,3-4,6-8,15H2,1H3
InChIKeyISEGAUBJUQJPJA-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.34
Rot. Bonds3

About [4-(aminomethyl)cyclohexyl]-(6-methyl-3-pyridinyl)methanone

[4-(aminomethyl)cyclohexyl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 116592296) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is [4-(aminomethyl)cyclohexyl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)cyclohexyl]-(6-methyl-3-pyridinyl)methanone
PubChem CID116592296
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name[4-(aminomethyl)cyclohexyl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)C2CCC(CN)CC2)cn1
InChIInChI=1S/C14H20N2O/c1-10-2-5-13(9-16-10)14(17)12-6-3-11(8-15)4-7-12/h2,5,9,11-12H,3-4,6-8,15H2,1H3
InChIKeyISEGAUBJUQJPJA-UHFFFAOYSA-N
XLogP2.34
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)cyclohexyl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [4-(aminomethyl)cyclohexyl]-(6-methyl-3-pyridinyl)methanone (CID 116592296) is [4-(aminomethyl)cyclohexyl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [4-(aminomethyl)cyclohexyl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [4-(aminomethyl)cyclohexyl]-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)C2CCC(CN)CC2)cn1.
What is the InChIKey of [4-(aminomethyl)cyclohexyl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is ISEGAUBJUQJPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-2-5-13(9-16-10)14(17)12-6-3-11(8-15)4-7-12/h2,5,9,11-12H,3-4,6-8,15H2,1H3.
What are the key properties of [4-(aminomethyl)cyclohexyl]-(6-methyl-3-pyridinyl)methanone?
[4-(aminomethyl)cyclohexyl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 232.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)cyclohexyl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 116592296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).