2-[azetidin-3-yl(propyl)amino]propanamide

C9H19N3O — CID 66216282

IUPAC2-[azetidin-3-yl(propyl)amino]propanamide
SMILESCCCN(C1CNC1)C(C)C(N)=O
InChIInChI=1S/C9H19N3O/c1-3-4-12(7(2)9(10)13)8-5-11-6-8/h7-8,11H,3-6H2,1-2H3,(H2,10,13)
InChIKeyCTXNBMIBFOOISC-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.46
Rot. Bonds5

About 2-[azetidin-3-yl(propyl)amino]propanamide

2-[azetidin-3-yl(propyl)amino]propanamide (PubChem CID 66216282) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[azetidin-3-yl(propyl)amino]propanamide.

Molecular Properties

Compound Name2-[azetidin-3-yl(propyl)amino]propanamide
PubChem CID66216282
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-[azetidin-3-yl(propyl)amino]propanamide
SMILESCCCN(C1CNC1)C(C)C(N)=O
InChIInChI=1S/C9H19N3O/c1-3-4-12(7(2)9(10)13)8-5-11-6-8/h7-8,11H,3-6H2,1-2H3,(H2,10,13)
InChIKeyCTXNBMIBFOOISC-UHFFFAOYSA-N
XLogP-0.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[azetidin-3-yl(methyl)amino]propanamide
CID 66188290
N-(1-cyclohexylethyl)-N-propylazetidin-3-amine
CID 66183287
2-[azetidin-3-yl(propyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 66214705
N-butan-2-yl-2-[propyl(pyrrolidin-3-yl)amino]propanamide
CID 63304037
2-[cyclopropyl(propyl)amino]propanoic acid
CID 43270597
2-(dipropylamino)propanamide
CID 18474126
N-(ethylcarbamoyl)-2-[piperidin-3-yl(propyl)amino]propanamide
CID 63637325
N-tert-butyl-2-[propyl(pyrrolidin-3-yl)amino]propanamide
CID 63304566
2-[cyclobutyl(3-hydroxypropyl)amino]propanamide
CID 102858549
N-(4-methoxy-4-methylpentan-2-yl)-N-propylazetidin-3-amine
CID 66184128
2-[(4-aminocyclohexyl)-propylamino]-N-propylpropanamide
CID 79112238
2-[azetidin-3-yl(ethyl)amino]-N-butan-2-ylpropanamide
CID 66181522

Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(propyl)amino]propanamide?
The IUPAC name of 2-[azetidin-3-yl(propyl)amino]propanamide (CID 66216282) is 2-[azetidin-3-yl(propyl)amino]propanamide.
What is the SMILES notation for 2-[azetidin-3-yl(propyl)amino]propanamide?
The canonical SMILES for 2-[azetidin-3-yl(propyl)amino]propanamide is CCCN(C1CNC1)C(C)C(N)=O.
What is the InChIKey of 2-[azetidin-3-yl(propyl)amino]propanamide?
The InChIKey is CTXNBMIBFOOISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-3-4-12(7(2)9(10)13)8-5-11-6-8/h7-8,11H,3-6H2,1-2H3,(H2,10,13).
What are the key properties of 2-[azetidin-3-yl(propyl)amino]propanamide?
2-[azetidin-3-yl(propyl)amino]propanamide has a molecular weight of 185.27 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(propyl)amino]propanamide is sourced from PubChem (CID 66216282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).