3-(tert-butylamino)-N-(2,3-dimethylbutyl)propanamide

C13H28N2O — CID 64599712

IUPAC3-(tert-butylamino)-N-(2,3-dimethylbutyl)propanamide
SMILESCC(C)C(C)CNC(=O)CCNC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-10(2)11(3)9-14-12(16)7-8-15-13(4,5)6/h10-11,15H,7-9H2,1-6H3,(H,14,16)
InChIKeyHWOJBCMRYOYFRB-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.17
Rot. Bonds6

About 3-(tert-butylamino)-N-(2,3-dimethylbutyl)propanamide

3-(tert-butylamino)-N-(2,3-dimethylbutyl)propanamide (PubChem CID 64599712) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(2,3-dimethylbutyl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(2,3-dimethylbutyl)propanamide
PubChem CID64599712
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-(tert-butylamino)-N-(2,3-dimethylbutyl)propanamide
SMILESCC(C)C(C)CNC(=O)CCNC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-10(2)11(3)9-14-12(16)7-8-15-13(4,5)6/h10-11,15H,7-9H2,1-6H3,(H,14,16)
InChIKeyHWOJBCMRYOYFRB-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(tert-butylamino)-N-[2-(dimethylamino)propyl]propanamide
CID 61042831
3-(tert-butylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
CID 61276030
3-(tert-butylamino)-N-(4-methylpentyl)propanamide
CID 61044511
3-(tert-butylamino)-N-(2-piperidin-1-ylpropyl)propanamide
CID 54899224
N-(2,3-dimethylbutyl)-4-(methylamino)butanamide;hydrochloride
CID 119796498
3-(tert-butylamino)-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 114145527
(2S)-2-[3-(tert-butylamino)propanoylamino]-3-methylbutanoic acid
CID 61174193
3-(tert-butylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 79248825
5-amino-N-(2,3-dimethylbutyl)-4-methylpentanamide
CID 82688279
2-[3-(tert-butylamino)propanoylamino]-3-methylbutanamide
CID 106345043
2-[3-(tert-butylamino)propanoylamino]propanamide
CID 60850067
2-[3-(tert-butylamino)propanoylamino]-3,3-dimethylbutanoic acid
CID 61161778

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(2,3-dimethylbutyl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-(2,3-dimethylbutyl)propanamide (CID 64599712) is 3-(tert-butylamino)-N-(2,3-dimethylbutyl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(2,3-dimethylbutyl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(2,3-dimethylbutyl)propanamide is CC(C)C(C)CNC(=O)CCNC(C)(C)C.
What is the InChIKey of 3-(tert-butylamino)-N-(2,3-dimethylbutyl)propanamide?
The InChIKey is HWOJBCMRYOYFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10(2)11(3)9-14-12(16)7-8-15-13(4,5)6/h10-11,15H,7-9H2,1-6H3,(H,14,16).
What are the key properties of 3-(tert-butylamino)-N-(2,3-dimethylbutyl)propanamide?
3-(tert-butylamino)-N-(2,3-dimethylbutyl)propanamide has a molecular weight of 228.38 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-(2,3-dimethylbutyl)propanamide is sourced from PubChem (CID 64599712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).