2-amino-3-(butylamino)propanamide

C7H17N3O — CID 103232681

IUPAC2-amino-3-(butylamino)propanamide
SMILESCCCCNCC(N)C(N)=O
InChIInChI=1S/C7H17N3O/c1-2-3-4-10-5-6(8)7(9)11/h6,10H,2-5,8H2,1H3,(H2,9,11)
InChIKeyDHASIWQISLYTFO-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.81
Rot. Bonds6

About 2-amino-3-(butylamino)propanamide

2-amino-3-(butylamino)propanamide (PubChem CID 103232681) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-amino-3-(butylamino)propanamide.

Molecular Properties

Compound Name2-amino-3-(butylamino)propanamide
PubChem CID103232681
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name2-amino-3-(butylamino)propanamide
SMILESCCCCNCC(N)C(N)=O
InChIInChI=1S/C7H17N3O/c1-2-3-4-10-5-6(8)7(9)11/h6,10H,2-5,8H2,1H3,(H2,9,11)
InChIKeyDHASIWQISLYTFO-UHFFFAOYSA-N
XLogP-0.81
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(pentylamino)propanamide
CID 43312009
2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]propanamide
CID 103241874
2-amino-3-(2-ethylbutylamino)propanamide
CID 103267063
2-amino-3-[2-(carbamoylamino)ethylamino]propanamide
CID 103262445
acetamide;N-butylbutan-1-amine
CID 172792447
2-amino-3-(2-methylsulfonylethylamino)propanamide
CID 103240264
2-amino-3-(2-methylpropylamino)propanamide
CID 103231048
1-amino-2-(butylamino)ethanol;hydrobromide
CID 174960683
2-amino-3-(pent-3-ynylamino)propanamide
CID 103266574
2-amino-3-(hexan-2-ylamino)propanamide
CID 103248372
(2R)-1-N-butylbutane-1,2-diamine
CID 130522167
2-(butylamino)butanamide
CID 62901736

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(butylamino)propanamide?
The IUPAC name of 2-amino-3-(butylamino)propanamide (CID 103232681) is 2-amino-3-(butylamino)propanamide.
What is the SMILES notation for 2-amino-3-(butylamino)propanamide?
The canonical SMILES for 2-amino-3-(butylamino)propanamide is CCCCNCC(N)C(N)=O.
What is the InChIKey of 2-amino-3-(butylamino)propanamide?
The InChIKey is DHASIWQISLYTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-2-3-4-10-5-6(8)7(9)11/h6,10H,2-5,8H2,1H3,(H2,9,11).
What are the key properties of 2-amino-3-(butylamino)propanamide?
2-amino-3-(butylamino)propanamide has a molecular weight of 159.23 g/mol, XLogP of -0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(butylamino)propanamide is sourced from PubChem (CID 103232681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).