1-amino-2-(tert-butylamino)-4,4-dimethylpentan-3-one

C11H24N2O — CID 58520717

IUPAC1-amino-2-(tert-butylamino)-4,4-dimethylpentan-3-one
SMILESCC(C)(C)NC(CN)C(=O)C(C)(C)C
InChIInChI=1S/C11H24N2O/c1-10(2,3)9(14)8(7-12)13-11(4,5)6/h8,13H,7,12H2,1-6H3
InChIKeyVTWKYEJKSGNHHA-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.32
Rot. Bonds3

About 1-amino-2-(tert-butylamino)-4,4-dimethylpentan-3-one

1-amino-2-(tert-butylamino)-4,4-dimethylpentan-3-one (PubChem CID 58520717) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-amino-2-(tert-butylamino)-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name1-amino-2-(tert-butylamino)-4,4-dimethylpentan-3-one
PubChem CID58520717
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-amino-2-(tert-butylamino)-4,4-dimethylpentan-3-one
SMILESCC(C)(C)NC(CN)C(=O)C(C)(C)C
InChIInChI=1S/C11H24N2O/c1-10(2,3)9(14)8(7-12)13-11(4,5)6/h8,13H,7,12H2,1-6H3
InChIKeyVTWKYEJKSGNHHA-UHFFFAOYSA-N
XLogP1.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(tert-butylamino)-4,4-dimethyl-1-sulfanylpentan-3-one
CID 130318731
(4S)-4-(tert-butylamino)-2,2-dimethyl-6-sulfanylhexan-3-one
CID 177273327
(4S)-4-(tert-butylamino)-2,2,8,8-tetramethylnonane-3,7-dione
CID 140940119
4-(tert-butylamino)-2,2,6,6,7-pentamethyloctan-3-one;methane
CID 157099721
(4S)-4-(tert-butylamino)-6-methoxy-2,2-dimethylhexan-3-one
CID 138500390
(E)-4-amino-N-[2-(tert-butylamino)-4,4-dimethyl-3-oxopentyl]but-2-enamide
CID 88612328
8-amino-4-(aminomethylamino)-2,2-dimethyloctan-3-one
CID 170794418
[(5S)-5-(tert-butylamino)-7,7-dimethyl-6-oxooctyl]-(diaminomethylidene)azanium
CID 169301958
2-[(2R)-2-(tert-butylamino)-4,4-dimethyl-3-oxopentyl]sulfanylethyl acetate
CID 134274101
4-(tert-butylamino)-6-cyclopentyl-2,2-dimethylhexan-3-one;methane
CID 161063092
2-(tert-butylamino)-4,4-dimethyl-1-(4-methylpiperazin-1-yl)pentan-3-one
CID 20750348
(2R)-2-(tert-butylamino)-3-hydroxypropanamide
CID 87261665

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(tert-butylamino)-4,4-dimethylpentan-3-one?
The IUPAC name of 1-amino-2-(tert-butylamino)-4,4-dimethylpentan-3-one (CID 58520717) is 1-amino-2-(tert-butylamino)-4,4-dimethylpentan-3-one.
What is the SMILES notation for 1-amino-2-(tert-butylamino)-4,4-dimethylpentan-3-one?
The canonical SMILES for 1-amino-2-(tert-butylamino)-4,4-dimethylpentan-3-one is CC(C)(C)NC(CN)C(=O)C(C)(C)C.
What is the InChIKey of 1-amino-2-(tert-butylamino)-4,4-dimethylpentan-3-one?
The InChIKey is VTWKYEJKSGNHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-10(2,3)9(14)8(7-12)13-11(4,5)6/h8,13H,7,12H2,1-6H3.
What are the key properties of 1-amino-2-(tert-butylamino)-4,4-dimethylpentan-3-one?
1-amino-2-(tert-butylamino)-4,4-dimethylpentan-3-one has a molecular weight of 200.33 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(tert-butylamino)-4,4-dimethylpentan-3-one is sourced from PubChem (CID 58520717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).