3-amino-1-(2-amino-4-methyl-3-pyridinyl)-5,5-dimethylhexan-1-one

C14H23N3O — CID 116614579

IUPAC3-amino-1-(2-amino-4-methyl-3-pyridinyl)-5,5-dimethylhexan-1-one
SMILESCc1ccnc(N)c1C(=O)CC(N)CC(C)(C)C
InChIInChI=1S/C14H23N3O/c1-9-5-6-17-13(16)12(9)11(18)7-10(15)8-14(2,3)4/h5-6,10H,7-8,15H2,1-4H3,(H2,16,17)
InChIKeyKYPVQYUWIMMUGC-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.31
Rot. Bonds4

About 3-amino-1-(2-amino-4-methyl-3-pyridinyl)-5,5-dimethylhexan-1-one

3-amino-1-(2-amino-4-methyl-3-pyridinyl)-5,5-dimethylhexan-1-one (PubChem CID 116614579) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-amino-1-(2-amino-4-methyl-3-pyridinyl)-5,5-dimethylhexan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-amino-4-methyl-3-pyridinyl)-5,5-dimethylhexan-1-one
PubChem CID116614579
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-amino-1-(2-amino-4-methyl-3-pyridinyl)-5,5-dimethylhexan-1-one
SMILESCc1ccnc(N)c1C(=O)CC(N)CC(C)(C)C
InChIInChI=1S/C14H23N3O/c1-9-5-6-17-13(16)12(9)11(18)7-10(15)8-14(2,3)4/h5-6,10H,7-8,15H2,1-4H3,(H2,16,17)
InChIKeyKYPVQYUWIMMUGC-UHFFFAOYSA-N
XLogP2.31
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-(2-amino-4-methyl-3-pyridinyl)-5,5-dimethylhexan-1-one with MolForge

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Launch Full Analysis

Related Compounds

3-amino-1-(2-amino-4-methyl-3-pyridinyl)pentan-1-one
CID 116608992
3-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-cyclopropylpropan-1-one
CID 116608700
3-amino-5,5-dimethyl-1-(4-methylphenyl)hexan-1-one
CID 116614561
2-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-methoxypropan-1-one
CID 116593978
1-(2-amino-4-methyl-3-pyridinyl)-2-hydroxy-2-methylbutan-1-one
CID 103446715
3-amino-1-(3,4-dimethylphenyl)-5,5-dimethylhexan-1-one
CID 116614648
3-amino-1-(2,3-difluoro-4-methylphenyl)-5,5-dimethylhexan-1-one
CID 107515023
1-(2-amino-4-methyl-3-pyridinyl)-2-(propylamino)ethanone
CID 116562759
3-amino-1-(2-ethylpyrazol-3-yl)-5,5-dimethylhexan-1-one
CID 116614577
3-amino-1-(1-ethylimidazol-2-yl)-5,5-dimethylhexan-1-one
CID 116614691
3-amino-5,5-dimethyl-1-(5-methyl-3-pyridinyl)hexan-1-one
CID 116614669
1-(2-amino-4-methyl-3-pyridinyl)-2-ethoxybutan-1-one
CID 116707609

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-amino-4-methyl-3-pyridinyl)-5,5-dimethylhexan-1-one?
The IUPAC name of 3-amino-1-(2-amino-4-methyl-3-pyridinyl)-5,5-dimethylhexan-1-one (CID 116614579) is 3-amino-1-(2-amino-4-methyl-3-pyridinyl)-5,5-dimethylhexan-1-one.
What is the SMILES notation for 3-amino-1-(2-amino-4-methyl-3-pyridinyl)-5,5-dimethylhexan-1-one?
The canonical SMILES for 3-amino-1-(2-amino-4-methyl-3-pyridinyl)-5,5-dimethylhexan-1-one is Cc1ccnc(N)c1C(=O)CC(N)CC(C)(C)C.
What is the InChIKey of 3-amino-1-(2-amino-4-methyl-3-pyridinyl)-5,5-dimethylhexan-1-one?
The InChIKey is KYPVQYUWIMMUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9-5-6-17-13(16)12(9)11(18)7-10(15)8-14(2,3)4/h5-6,10H,7-8,15H2,1-4H3,(H2,16,17).
What are the key properties of 3-amino-1-(2-amino-4-methyl-3-pyridinyl)-5,5-dimethylhexan-1-one?
3-amino-1-(2-amino-4-methyl-3-pyridinyl)-5,5-dimethylhexan-1-one has a molecular weight of 249.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-amino-4-methyl-3-pyridinyl)-5,5-dimethylhexan-1-one is sourced from PubChem (CID 116614579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).