[1-(aminomethyl)cyclohexyl]-(2-amino-5-methyl-3-pyridinyl)methanone

C14H21N3O — CID 116600748

IUPAC[1-(aminomethyl)cyclohexyl]-(2-amino-5-methyl-3-pyridinyl)methanone
SMILESCc1cnc(N)c(C(=O)C2(CN)CCCCC2)c1
InChIInChI=1S/C14H21N3O/c1-10-7-11(13(16)17-8-10)12(18)14(9-15)5-3-2-4-6-14/h7-8H,2-6,9,15H2,1H3,(H2,16,17)
InChIKeyQDLGXCBUEMUVPF-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.06
Rot. Bonds3

About [1-(aminomethyl)cyclohexyl]-(2-amino-5-methyl-3-pyridinyl)methanone

[1-(aminomethyl)cyclohexyl]-(2-amino-5-methyl-3-pyridinyl)methanone (PubChem CID 116600748) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]-(2-amino-5-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]-(2-amino-5-methyl-3-pyridinyl)methanone
PubChem CID116600748
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[1-(aminomethyl)cyclohexyl]-(2-amino-5-methyl-3-pyridinyl)methanone
SMILESCc1cnc(N)c(C(=O)C2(CN)CCCCC2)c1
InChIInChI=1S/C14H21N3O/c1-10-7-11(13(16)17-8-10)12(18)14(9-15)5-3-2-4-6-14/h7-8H,2-6,9,15H2,1H3,(H2,16,17)
InChIKeyQDLGXCBUEMUVPF-UHFFFAOYSA-N
XLogP2.06
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-5-methyl-3-pyridinyl)-(2-ethylpyrrolidin-2-yl)methanone
CID 116608284
[1-(aminomethyl)cyclohexyl]-(4-methyl-3-pyridinyl)methanone
CID 116600758
[1-(aminomethyl)cyclohexyl]-(4-methylphenyl)methanone
CID 116600553
[1-(aminomethyl)cyclohexyl]-(2,3-difluoro-4-methylphenyl)methanone
CID 107514977
(2-amino-5-methyl-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 116572944
[1-(aminomethyl)cyclohexyl]-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116600667
[1-(aminomethyl)cycloheptyl]-(3,5-dimethoxyphenyl)methanone
CID 116602135
2-(2-aminoethoxy)-1-(2-amino-5-methyl-3-pyridinyl)ethanone
CID 116591054
(2-amino-5-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone
CID 107925462
2-(aminomethyl)-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one
CID 116574050
[1-(aminomethyl)cycloheptyl]-(5-ethoxy-3-pyridinyl)methanone
CID 116602231
(2-amino-5-methyl-3-pyridinyl)-(cyclohexen-1-yl)methanone
CID 103450009

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]-(2-amino-5-methyl-3-pyridinyl)methanone?
The IUPAC name of [1-(aminomethyl)cyclohexyl]-(2-amino-5-methyl-3-pyridinyl)methanone (CID 116600748) is [1-(aminomethyl)cyclohexyl]-(2-amino-5-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]-(2-amino-5-methyl-3-pyridinyl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]-(2-amino-5-methyl-3-pyridinyl)methanone is Cc1cnc(N)c(C(=O)C2(CN)CCCCC2)c1.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]-(2-amino-5-methyl-3-pyridinyl)methanone?
The InChIKey is QDLGXCBUEMUVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-7-11(13(16)17-8-10)12(18)14(9-15)5-3-2-4-6-14/h7-8H,2-6,9,15H2,1H3,(H2,16,17).
What are the key properties of [1-(aminomethyl)cyclohexyl]-(2-amino-5-methyl-3-pyridinyl)methanone?
[1-(aminomethyl)cyclohexyl]-(2-amino-5-methyl-3-pyridinyl)methanone has a molecular weight of 247.34 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]-(2-amino-5-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 116600748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).