3-[(3-aminocyclobutyl)amino]-N,N-diethylpropanamide

C11H23N3O — CID 80560855

IUPAC3-[(3-aminocyclobutyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC1CC(N)C1
InChIInChI=1S/C11H23N3O/c1-3-14(4-2)11(15)5-6-13-10-7-9(12)8-10/h9-10,13H,3-8,12H2,1-2H3
InChIKeyIFFPUKSWQKHSQQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.32
Rot. Bonds6

About 3-[(3-aminocyclobutyl)amino]-N,N-diethylpropanamide

3-[(3-aminocyclobutyl)amino]-N,N-diethylpropanamide (PubChem CID 80560855) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[(3-aminocyclobutyl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[(3-aminocyclobutyl)amino]-N,N-diethylpropanamide
PubChem CID80560855
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-[(3-aminocyclobutyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC1CC(N)C1
InChIInChI=1S/C11H23N3O/c1-3-14(4-2)11(15)5-6-13-10-7-9(12)8-10/h9-10,13H,3-8,12H2,1-2H3
InChIKeyIFFPUKSWQKHSQQ-UHFFFAOYSA-N
XLogP0.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminocyclobutyl)amino]-N,N-diethylpropanamide?
The IUPAC name of 3-[(3-aminocyclobutyl)amino]-N,N-diethylpropanamide (CID 80560855) is 3-[(3-aminocyclobutyl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[(3-aminocyclobutyl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[(3-aminocyclobutyl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNC1CC(N)C1.
What is the InChIKey of 3-[(3-aminocyclobutyl)amino]-N,N-diethylpropanamide?
The InChIKey is IFFPUKSWQKHSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-14(4-2)11(15)5-6-13-10-7-9(12)8-10/h9-10,13H,3-8,12H2,1-2H3.
What are the key properties of 3-[(3-aminocyclobutyl)amino]-N,N-diethylpropanamide?
3-[(3-aminocyclobutyl)amino]-N,N-diethylpropanamide has a molecular weight of 213.32 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminocyclobutyl)amino]-N,N-diethylpropanamide is sourced from PubChem (CID 80560855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).