1-(1-amino-3-methylcyclohexyl)-2-pyridin-4-ylethanone

C14H20N2O — CID 116579429

IUPAC1-(1-amino-3-methylcyclohexyl)-2-pyridin-4-ylethanone
SMILESCC1CCCC(N)(C(=O)Cc2ccncc2)C1
InChIInChI=1S/C14H20N2O/c1-11-3-2-6-14(15,10-11)13(17)9-12-4-7-16-8-5-12/h4-5,7-8,11H,2-3,6,9-10,15H2,1H3
InChIKeyFUMOMCASPHWTHV-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.10
Rot. Bonds3

About 1-(1-amino-3-methylcyclohexyl)-2-pyridin-4-ylethanone

1-(1-amino-3-methylcyclohexyl)-2-pyridin-4-ylethanone (PubChem CID 116579429) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(1-amino-3-methylcyclohexyl)-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-(1-amino-3-methylcyclohexyl)-2-pyridin-4-ylethanone
PubChem CID116579429
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(1-amino-3-methylcyclohexyl)-2-pyridin-4-ylethanone
SMILESCC1CCCC(N)(C(=O)Cc2ccncc2)C1
InChIInChI=1S/C14H20N2O/c1-11-3-2-6-14(15,10-11)13(17)9-12-4-7-16-8-5-12/h4-5,7-8,11H,2-3,6,9-10,15H2,1H3
InChIKeyFUMOMCASPHWTHV-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-3-methylcyclohexyl)-2-pyridin-4-ylethanone?
The IUPAC name of 1-(1-amino-3-methylcyclohexyl)-2-pyridin-4-ylethanone (CID 116579429) is 1-(1-amino-3-methylcyclohexyl)-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-(1-amino-3-methylcyclohexyl)-2-pyridin-4-ylethanone?
The canonical SMILES for 1-(1-amino-3-methylcyclohexyl)-2-pyridin-4-ylethanone is CC1CCCC(N)(C(=O)Cc2ccncc2)C1.
What is the InChIKey of 1-(1-amino-3-methylcyclohexyl)-2-pyridin-4-ylethanone?
The InChIKey is FUMOMCASPHWTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-3-2-6-14(15,10-11)13(17)9-12-4-7-16-8-5-12/h4-5,7-8,11H,2-3,6,9-10,15H2,1H3.
What are the key properties of 1-(1-amino-3-methylcyclohexyl)-2-pyridin-4-ylethanone?
1-(1-amino-3-methylcyclohexyl)-2-pyridin-4-ylethanone has a molecular weight of 232.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-3-methylcyclohexyl)-2-pyridin-4-ylethanone is sourced from PubChem (CID 116579429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).