2-(tert-butylamino)-4-methylpentan-3-one

C10H21NO — CID 134376563

IUPAC2-(tert-butylamino)-4-methylpentan-3-one
SMILESCC(C)C(=O)C(C)NC(C)(C)C
InChIInChI=1S/C10H21NO/c1-7(2)9(12)8(3)11-10(4,5)6/h7-8,11H,1-6H3
InChIKeyOPRIKUQEIRUXHO-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.99
Rot. Bonds3

About 2-(tert-butylamino)-4-methylpentan-3-one

2-(tert-butylamino)-4-methylpentan-3-one (PubChem CID 134376563) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-(tert-butylamino)-4-methylpentan-3-one.

Molecular Properties

Compound Name2-(tert-butylamino)-4-methylpentan-3-one
PubChem CID134376563
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-(tert-butylamino)-4-methylpentan-3-one
SMILESCC(C)C(=O)C(C)NC(C)(C)C
InChIInChI=1S/C10H21NO/c1-7(2)9(12)8(3)11-10(4,5)6/h7-8,11H,1-6H3
InChIKeyOPRIKUQEIRUXHO-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(tert-butylamino)-4-methylpentan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(tert-butylamino)-3-methyl-N-[(2S)-4-methyl-3-oxopentan-2-yl]butanamide
CID 138482618
(2S)-2-(tert-butylamino)propanamide
CID 122595245
(2R)-2-[[(2S)-2-(tert-butylamino)propanoyl]amino]propanoic acid
CID 130454125
(2R)-2-(tert-butylamino)-N-ethylpropanamide
CID 146263926
(2S)-2-(tert-butylamino)-3-methylbutanoic acid
CID 12837673
3,3-dimethyl-N-(4-methyl-3-oxopentan-2-yl)butanamide
CID 89004719
(4S)-8-amino-4-(tert-butylamino)-2-methyloctan-3-one
CID 177276653
methyl 4-(tert-butylamino)-6-methyl-5-oxoheptanoate
CID 143900912
(2S)-2-(tert-butylamino)-1-cyclohexylpropan-1-one
CID 138462216
(2S)-2-(tert-butylamino)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methylbutanamide
CID 166671320
2-methyl-4-[3-[(4-methyl-3-oxopentan-2-yl)amino]propylamino]pentan-3-one
CID 57072126
methyl N-[(2S)-4-methyl-3-oxopentan-2-yl]carbamate
CID 59264493

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-4-methylpentan-3-one?
The IUPAC name of 2-(tert-butylamino)-4-methylpentan-3-one (CID 134376563) is 2-(tert-butylamino)-4-methylpentan-3-one.
What is the SMILES notation for 2-(tert-butylamino)-4-methylpentan-3-one?
The canonical SMILES for 2-(tert-butylamino)-4-methylpentan-3-one is CC(C)C(=O)C(C)NC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-4-methylpentan-3-one?
The InChIKey is OPRIKUQEIRUXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-7(2)9(12)8(3)11-10(4,5)6/h7-8,11H,1-6H3.
What are the key properties of 2-(tert-butylamino)-4-methylpentan-3-one?
2-(tert-butylamino)-4-methylpentan-3-one has a molecular weight of 171.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-4-methylpentan-3-one is sourced from PubChem (CID 134376563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).