2-amino-2,4,4-trimethylpentan-3-one;methane

C9H21NO — CID 170638842

IUPAC2-amino-2,4,4-trimethylpentan-3-one;methane
SMILESC.CC(C)(C)C(=O)C(C)(C)N
InChIInChI=1S/C8H17NO.CH4/c1-7(2,3)6(10)8(4,5)9;/h9H2,1-5H3;1H4
InChIKeyPUCHZRZQAZSUBD-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.98
Rot. Bonds1

About 2-amino-2,4,4-trimethylpentan-3-one;methane

2-amino-2,4,4-trimethylpentan-3-one;methane (PubChem CID 170638842) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2-amino-2,4,4-trimethylpentan-3-one;methane.

Molecular Properties

Compound Name2-amino-2,4,4-trimethylpentan-3-one;methane
PubChem CID170638842
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2-amino-2,4,4-trimethylpentan-3-one;methane
SMILESC.CC(C)(C)C(=O)C(C)(C)N
InChIInChI=1S/C8H17NO.CH4/c1-7(2,3)6(10)8(4,5)9;/h9H2,1-5H3;1H4
InChIKeyPUCHZRZQAZSUBD-UHFFFAOYSA-N
XLogP1.98
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-diamino-2,4-dimethylpentan-3-one;dihydrobromide
CID 175902807
2-amino-2-methylpropanamide;dihydrochloride
CID 142633616
3-amino-3-methylbutan-2-one
CID 4913006
cyclopentane;2,2-dimethylpropanamide
CID 90008477
2-amino-2-methylpropanethioic S-acid;hydrochloride
CID 135147542
cyclobutane;2,2-dimethylpropanamide
CID 145147245
5-amino-2,2,5-trimethyl-4-methylidenehexan-3-one
CID 134344154
(2-amino-2-methylpropanoyl) 2,2-dimethylpropanoate
CID 163587095
3-amino-2,2,3-trimethylbutanamide
CID 65264733
acetyl chloride;2,2-dimethylpropanamide
CID 157270629
3,3,3-trideuterio-2-methyl-2-(trideuteriomethyl)propanamide
CID 118372330
2-aminopropan-2-yl 2-amino-2-methylpropanoate
CID 163435102

Frequently Asked Questions

What is the IUPAC name of 2-amino-2,4,4-trimethylpentan-3-one;methane?
The IUPAC name of 2-amino-2,4,4-trimethylpentan-3-one;methane (CID 170638842) is 2-amino-2,4,4-trimethylpentan-3-one;methane.
What is the SMILES notation for 2-amino-2,4,4-trimethylpentan-3-one;methane?
The canonical SMILES for 2-amino-2,4,4-trimethylpentan-3-one;methane is C.CC(C)(C)C(=O)C(C)(C)N.
What is the InChIKey of 2-amino-2,4,4-trimethylpentan-3-one;methane?
The InChIKey is PUCHZRZQAZSUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.CH4/c1-7(2,3)6(10)8(4,5)9;/h9H2,1-5H3;1H4.
What are the key properties of 2-amino-2,4,4-trimethylpentan-3-one;methane?
2-amino-2,4,4-trimethylpentan-3-one;methane has a molecular weight of 159.27 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,4,4-trimethylpentan-3-one;methane is sourced from PubChem (CID 170638842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).