2-(3-methylbutylamino)propanamide

C8H18N2O — CID 43086017

IUPAC2-(3-methylbutylamino)propanamide
SMILESCC(C)CCNC(C)C(N)=O
InChIInChI=1S/C8H18N2O/c1-6(2)4-5-10-7(3)8(9)11/h6-7,10H,4-5H2,1-3H3,(H2,9,11)
InChIKeyTZWCMUFLICDOJV-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.50
Rot. Bonds5

About 2-(3-methylbutylamino)propanamide

2-(3-methylbutylamino)propanamide (PubChem CID 43086017) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 2-(3-methylbutylamino)propanamide.

Molecular Properties

Compound Name2-(3-methylbutylamino)propanamide
PubChem CID43086017
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name2-(3-methylbutylamino)propanamide
SMILESCC(C)CCNC(C)C(N)=O
InChIInChI=1S/C8H18N2O/c1-6(2)4-5-10-7(3)8(9)11/h6-7,10H,4-5H2,1-3H3,(H2,9,11)
InChIKeyTZWCMUFLICDOJV-UHFFFAOYSA-N
XLogP0.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(propylamino)propanamide
CID 43086178
2-(3-methylbutylamino)propanoic acid
CID 16769163
(2S)-2-(2-hydroxyethylamino)propanamide
CID 93033472
2-(2-aminoethylamino)propanamide
CID 20551229
(2R)-2-(3-methylbutylamino)propanoic acid
CID 20848021
(2S)-2-(propylamino)propanamide
CID 28835957
2-(3,3-diethoxypropylamino)propanamide
CID 81095052
2-(3-hydroxypropylamino)propanamide
CID 43392787
2-[(1-amino-1-oxopropan-2-yl)amino]ethyl carbamate
CID 83211096
2-(2-methylsulfanylethylamino)propanamide
CID 60672708
2-(3-fluoropropylamino)propanamide
CID 81105726
2-(2-sulfamoylethylamino)propanamide
CID 114384800

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylamino)propanamide?
The IUPAC name of 2-(3-methylbutylamino)propanamide (CID 43086017) is 2-(3-methylbutylamino)propanamide.
What is the SMILES notation for 2-(3-methylbutylamino)propanamide?
The canonical SMILES for 2-(3-methylbutylamino)propanamide is CC(C)CCNC(C)C(N)=O.
What is the InChIKey of 2-(3-methylbutylamino)propanamide?
The InChIKey is TZWCMUFLICDOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-6(2)4-5-10-7(3)8(9)11/h6-7,10H,4-5H2,1-3H3,(H2,9,11).
What are the key properties of 2-(3-methylbutylamino)propanamide?
2-(3-methylbutylamino)propanamide has a molecular weight of 158.25 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylamino)propanamide is sourced from PubChem (CID 43086017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).