3-amino-5,5-dimethyl-1-(5-methyl-3-pyridinyl)hexan-1-one

C14H22N2O — CID 116614669

IUPAC3-amino-5,5-dimethyl-1-(5-methyl-3-pyridinyl)hexan-1-one
SMILESCc1cncc(C(=O)CC(N)CC(C)(C)C)c1
InChIInChI=1S/C14H22N2O/c1-10-5-11(9-16-8-10)13(17)6-12(15)7-14(2,3)4/h5,8-9,12H,6-7,15H2,1-4H3
InChIKeyOSPZKZGUALWCSY-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.73
Rot. Bonds4

About 3-amino-5,5-dimethyl-1-(5-methyl-3-pyridinyl)hexan-1-one

3-amino-5,5-dimethyl-1-(5-methyl-3-pyridinyl)hexan-1-one (PubChem CID 116614669) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-amino-5,5-dimethyl-1-(5-methyl-3-pyridinyl)hexan-1-one.

Molecular Properties

Compound Name3-amino-5,5-dimethyl-1-(5-methyl-3-pyridinyl)hexan-1-one
PubChem CID116614669
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-amino-5,5-dimethyl-1-(5-methyl-3-pyridinyl)hexan-1-one
SMILESCc1cncc(C(=O)CC(N)CC(C)(C)C)c1
InChIInChI=1S/C14H22N2O/c1-10-5-11(9-16-8-10)13(17)6-12(15)7-14(2,3)4/h5,8-9,12H,6-7,15H2,1-4H3
InChIKeyOSPZKZGUALWCSY-UHFFFAOYSA-N
XLogP2.73
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-4,4-dimethylpentyl)-5-methylpyridine-3-carboxamide
CID 107158461
3-amino-5,5-dimethyl-1-(4-methylphenyl)hexan-1-one
CID 116614561
3-amino-4-methyl-1-(5-methyl-3-pyridinyl)pentan-1-one
CID 116606321
3-amino-1-(3,4-dimethylphenyl)-5,5-dimethylhexan-1-one
CID 116614648
4-amino-4-methyl-1-(5-methyl-3-pyridinyl)pentan-1-one
CID 116571374
3-(ethylamino)-1-(5-methyl-3-pyridinyl)butan-1-one
CID 116566748
3-amino-5,5-dimethyl-1-naphthalen-2-ylhexan-1-one
CID 116614651
ethyl 3-(5-methyl-3-pyridinyl)-3-oxopropanoate
CID 142316844
3-amino-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)hexan-1-one
CID 116614614
2-methylpropane;5-methylpyridine-3-carboxamide
CID 165136425
1-(5-methyl-3-pyridinyl)pentan-1-one
CID 115374044
2-(aminomethyl)-2-methyl-1-(5-methyl-3-pyridinyl)butan-1-one
CID 116610906

Frequently Asked Questions

What is the IUPAC name of 3-amino-5,5-dimethyl-1-(5-methyl-3-pyridinyl)hexan-1-one?
The IUPAC name of 3-amino-5,5-dimethyl-1-(5-methyl-3-pyridinyl)hexan-1-one (CID 116614669) is 3-amino-5,5-dimethyl-1-(5-methyl-3-pyridinyl)hexan-1-one.
What is the SMILES notation for 3-amino-5,5-dimethyl-1-(5-methyl-3-pyridinyl)hexan-1-one?
The canonical SMILES for 3-amino-5,5-dimethyl-1-(5-methyl-3-pyridinyl)hexan-1-one is Cc1cncc(C(=O)CC(N)CC(C)(C)C)c1.
What is the InChIKey of 3-amino-5,5-dimethyl-1-(5-methyl-3-pyridinyl)hexan-1-one?
The InChIKey is OSPZKZGUALWCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-5-11(9-16-8-10)13(17)6-12(15)7-14(2,3)4/h5,8-9,12H,6-7,15H2,1-4H3.
What are the key properties of 3-amino-5,5-dimethyl-1-(5-methyl-3-pyridinyl)hexan-1-one?
3-amino-5,5-dimethyl-1-(5-methyl-3-pyridinyl)hexan-1-one has a molecular weight of 234.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,5-dimethyl-1-(5-methyl-3-pyridinyl)hexan-1-one is sourced from PubChem (CID 116614669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).