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

C14H20N2O — CID 116600758

IUPAC[1-(aminomethyl)cyclohexyl]-(4-methyl-3-pyridinyl)methanone
SMILESCc1ccncc1C(=O)C1(CN)CCCCC1
InChIInChI=1S/C14H20N2O/c1-11-5-8-16-9-12(11)13(17)14(10-15)6-3-2-4-7-14/h5,8-9H,2-4,6-7,10,15H2,1H3
InChIKeyFRLNFLIUTOBZFZ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.48
Rot. Bonds3

About [1-(aminomethyl)cyclohexyl]-(4-methyl-3-pyridinyl)methanone

[1-(aminomethyl)cyclohexyl]-(4-methyl-3-pyridinyl)methanone (PubChem CID 116600758) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]-(4-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]-(4-methyl-3-pyridinyl)methanone
PubChem CID116600758
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name[1-(aminomethyl)cyclohexyl]-(4-methyl-3-pyridinyl)methanone
SMILESCc1ccncc1C(=O)C1(CN)CCCCC1
InChIInChI=1S/C14H20N2O/c1-11-5-8-16-9-12(11)13(17)14(10-15)6-3-2-4-7-14/h5,8-9H,2-4,6-7,10,15H2,1H3
InChIKeyFRLNFLIUTOBZFZ-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-hydroxycycloheptyl)-(4-methyl-3-pyridinyl)methanone
CID 103450134
[1-(aminomethyl)cycloheptyl]-isoquinolin-8-ylmethanone
CID 103133490
[1-(aminomethyl)cyclohexyl]-(2,3-difluoro-4-methylphenyl)methanone
CID 107514977
(1-methoxycyclobutyl)-(4-methyl-3-pyridinyl)methanone
CID 116706976
[1-(aminomethyl)cyclohexyl]-(2-amino-5-methyl-3-pyridinyl)methanone
CID 116600748
[1-(aminomethyl)cyclohexyl]-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434920
[1-(aminomethyl)cyclohexyl]-(4-methylphenyl)methanone
CID 116600553
[1-(aminomethyl)cyclobutyl]-(2,3-dimethylphenyl)methanone
CID 116600303
[1-(aminomethyl)cyclohexyl]-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116600667
2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-3-pyridinyl)acetamide
CID 104678205
[1-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone
CID 116600622
[1-(aminomethyl)cycloheptyl]-quinolin-8-ylmethanone
CID 116602174

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]-(4-methyl-3-pyridinyl)methanone?
The IUPAC name of [1-(aminomethyl)cyclohexyl]-(4-methyl-3-pyridinyl)methanone (CID 116600758) is [1-(aminomethyl)cyclohexyl]-(4-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]-(4-methyl-3-pyridinyl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]-(4-methyl-3-pyridinyl)methanone is Cc1ccncc1C(=O)C1(CN)CCCCC1.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]-(4-methyl-3-pyridinyl)methanone?
The InChIKey is FRLNFLIUTOBZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-5-8-16-9-12(11)13(17)14(10-15)6-3-2-4-7-14/h5,8-9H,2-4,6-7,10,15H2,1H3.
What are the key properties of [1-(aminomethyl)cyclohexyl]-(4-methyl-3-pyridinyl)methanone?
[1-(aminomethyl)cyclohexyl]-(4-methyl-3-pyridinyl)methanone has a molecular weight of 232.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]-(4-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 116600758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).