2-(butylamino)butanamide

C8H18N2O — CID 62901736

IUPAC2-(butylamino)butanamide
SMILESCCCCNC(CC)C(N)=O
InChIInChI=1S/C8H18N2O/c1-3-5-6-10-7(4-2)8(9)11/h7,10H,3-6H2,1-2H3,(H2,9,11)
InChIKeyHYABGKZKNKFERQ-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.64
Rot. Bonds6

About 2-(butylamino)butanamide

2-(butylamino)butanamide (PubChem CID 62901736) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 2-(butylamino)butanamide.

Molecular Properties

Compound Name2-(butylamino)butanamide
PubChem CID62901736
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name2-(butylamino)butanamide
SMILESCCCCNC(CC)C(N)=O
InChIInChI=1S/C8H18N2O/c1-3-5-6-10-7(4-2)8(9)11/h7,10H,3-6H2,1-2H3,(H2,9,11)
InChIKeyHYABGKZKNKFERQ-UHFFFAOYSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(tetradecylamino)butylamino]butanamide
CID 175024981
2-(2-aminoethylamino)butanamide
CID 62900229
2-(tridecylamino)octanamide
CID 154123950
2-[3-(2-hydroxyethoxy)propylamino]butanamide
CID 106309792
(2S)-N'-butyl-2-(butylamino)pentanediamide
CID 102108641
N-[(2S)-1-amino-1-oxobutan-2-yl]pentanamide
CID 88957287
2-(propylamino)octanamide
CID 60795649
2-(propylamino)nonanamide
CID 60796532
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanamide
CID 62899086
2-[2-(3-hydroxypropylsulfanyl)ethylamino]butanamide
CID 106310237
2-[(1-amino-1-oxobutan-2-yl)amino]butanamide
CID 174420695
3-methyl-2-(pentylamino)butanamide
CID 103914102

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)butanamide?
The IUPAC name of 2-(butylamino)butanamide (CID 62901736) is 2-(butylamino)butanamide.
What is the SMILES notation for 2-(butylamino)butanamide?
The canonical SMILES for 2-(butylamino)butanamide is CCCCNC(CC)C(N)=O.
What is the InChIKey of 2-(butylamino)butanamide?
The InChIKey is HYABGKZKNKFERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-3-5-6-10-7(4-2)8(9)11/h7,10H,3-6H2,1-2H3,(H2,9,11).
What are the key properties of 2-(butylamino)butanamide?
2-(butylamino)butanamide has a molecular weight of 158.25 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)butanamide is sourced from PubChem (CID 62901736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).