2-(aminomethyl)-2-methyl-1-(5-methyl-3-pyridinyl)butan-1-one

C12H18N2O — CID 116610906

IUPAC2-(aminomethyl)-2-methyl-1-(5-methyl-3-pyridinyl)butan-1-one
SMILESCCC(C)(CN)C(=O)c1cncc(C)c1
InChIInChI=1S/C12H18N2O/c1-4-12(3,8-13)11(15)10-5-9(2)6-14-7-10/h5-7H,4,8,13H2,1-3H3
InChIKeyPINUUBPUHGZWOL-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.95
Rot. Bonds4

About 2-(aminomethyl)-2-methyl-1-(5-methyl-3-pyridinyl)butan-1-one

2-(aminomethyl)-2-methyl-1-(5-methyl-3-pyridinyl)butan-1-one (PubChem CID 116610906) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(aminomethyl)-2-methyl-1-(5-methyl-3-pyridinyl)butan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-2-methyl-1-(5-methyl-3-pyridinyl)butan-1-one
PubChem CID116610906
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(aminomethyl)-2-methyl-1-(5-methyl-3-pyridinyl)butan-1-one
SMILESCCC(C)(CN)C(=O)c1cncc(C)c1
InChIInChI=1S/C12H18N2O/c1-4-12(3,8-13)11(15)10-5-9(2)6-14-7-10/h5-7H,4,8,13H2,1-3H3
InChIKeyPINUUBPUHGZWOL-UHFFFAOYSA-N
XLogP1.95
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)butan-1-one
CID 103446963
2-(aminomethyl)-1-(2-amino-5-methyl-3-pyridinyl)-2-methylbutan-1-one
CID 116611000
4-amino-4-methyl-1-(5-methyl-3-pyridinyl)pentan-1-one
CID 116571374
2-methylpropane;5-methylpyridine-3-carboxamide
CID 165136425
2-(aminomethyl)-2-methyl-1-thiophen-3-ylbutan-1-one
CID 116610816
N-(1-chloro-2-methylbutan-2-yl)-5-methylpyridine-3-carboxamide
CID 114303886
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-methylpyridine-3-carboxamide
CID 104629967
2-(aminomethyl)-1-(4-amino-3-pyridinyl)-2-methylbutan-1-one
CID 116610776
2-(aminomethyl)-2-methyl-1-(4-phenylphenyl)butan-1-one
CID 116610814
N-[2,2-dimethyl-3-[(5-methylpyridine-3-carbonyl)amino]propyl]-5-methylpyridine-3-carboxamide
CID 71994778
ethyl 3-(5-methyl-3-pyridinyl)-3-oxopropanoate
CID 142316844
3-amino-5,5-dimethyl-1-(5-methyl-3-pyridinyl)hexan-1-one
CID 116614669

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-methyl-1-(5-methyl-3-pyridinyl)butan-1-one?
The IUPAC name of 2-(aminomethyl)-2-methyl-1-(5-methyl-3-pyridinyl)butan-1-one (CID 116610906) is 2-(aminomethyl)-2-methyl-1-(5-methyl-3-pyridinyl)butan-1-one.
What is the SMILES notation for 2-(aminomethyl)-2-methyl-1-(5-methyl-3-pyridinyl)butan-1-one?
The canonical SMILES for 2-(aminomethyl)-2-methyl-1-(5-methyl-3-pyridinyl)butan-1-one is CCC(C)(CN)C(=O)c1cncc(C)c1.
What is the InChIKey of 2-(aminomethyl)-2-methyl-1-(5-methyl-3-pyridinyl)butan-1-one?
The InChIKey is PINUUBPUHGZWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-12(3,8-13)11(15)10-5-9(2)6-14-7-10/h5-7H,4,8,13H2,1-3H3.
What are the key properties of 2-(aminomethyl)-2-methyl-1-(5-methyl-3-pyridinyl)butan-1-one?
2-(aminomethyl)-2-methyl-1-(5-methyl-3-pyridinyl)butan-1-one has a molecular weight of 206.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-methyl-1-(5-methyl-3-pyridinyl)butan-1-one is sourced from PubChem (CID 116610906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).