2-(3-aminoazetidin-1-yl)-N-butylpropanamide

C10H21N3O — CID 63760897

IUPAC2-(3-aminoazetidin-1-yl)-N-butylpropanamide
SMILESCCCCNC(=O)C(C)N1CC(N)C1
InChIInChI=1S/C10H21N3O/c1-3-4-5-12-10(14)8(2)13-6-9(11)7-13/h8-9H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyRQUGHZBATFTIBY-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.07
Rot. Bonds5

About 2-(3-aminoazetidin-1-yl)-N-butylpropanamide

2-(3-aminoazetidin-1-yl)-N-butylpropanamide (PubChem CID 63760897) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(3-aminoazetidin-1-yl)-N-butylpropanamide.

Molecular Properties

Compound Name2-(3-aminoazetidin-1-yl)-N-butylpropanamide
PubChem CID63760897
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-(3-aminoazetidin-1-yl)-N-butylpropanamide
SMILESCCCCNC(=O)C(C)N1CC(N)C1
InChIInChI=1S/C10H21N3O/c1-3-4-5-12-10(14)8(2)13-6-9(11)7-13/h8-9H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyRQUGHZBATFTIBY-UHFFFAOYSA-N
XLogP-0.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide
CID 62068647
2-(3-aminoazetidin-1-yl)-N-(3-methylbutyl)propanamide
CID 63761130
N-butyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62370682
(2S)-N-butyl-2-(3-methylsulfonylazetidin-1-yl)propanamide
CID 164634983
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-butylpropanamide
CID 80553344
N-butyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide
CID 61204053
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-pentylpropanamide
CID 115647932
ethyl 2-(3-aminoazetidin-1-yl)propanoate
CID 65249905
N-butyl-2-[3-(methylamino)piperidin-1-yl]propanamide
CID 55086301
N-butyl-2-(4-oxopiperidin-1-yl)propanamide
CID 43112432
2-[4-(1-aminoethyl)piperidin-1-yl]-N-pentylpropanamide
CID 63596247
N-butyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63854643

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoazetidin-1-yl)-N-butylpropanamide?
The IUPAC name of 2-(3-aminoazetidin-1-yl)-N-butylpropanamide (CID 63760897) is 2-(3-aminoazetidin-1-yl)-N-butylpropanamide.
What is the SMILES notation for 2-(3-aminoazetidin-1-yl)-N-butylpropanamide?
The canonical SMILES for 2-(3-aminoazetidin-1-yl)-N-butylpropanamide is CCCCNC(=O)C(C)N1CC(N)C1.
What is the InChIKey of 2-(3-aminoazetidin-1-yl)-N-butylpropanamide?
The InChIKey is RQUGHZBATFTIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-4-5-12-10(14)8(2)13-6-9(11)7-13/h8-9H,3-7,11H2,1-2H3,(H,12,14).
What are the key properties of 2-(3-aminoazetidin-1-yl)-N-butylpropanamide?
2-(3-aminoazetidin-1-yl)-N-butylpropanamide has a molecular weight of 199.30 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoazetidin-1-yl)-N-butylpropanamide is sourced from PubChem (CID 63760897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).