3-[2-aminoethyl(cyclobutyl)amino]azepan-2-one

C12H23N3O — CID 102875137

IUPAC3-[2-aminoethyl(cyclobutyl)amino]azepan-2-one
SMILESNCCN(C1CCC1)C1CCCCNC1=O
InChIInChI=1S/C12H23N3O/c13-7-9-15(10-4-3-5-10)11-6-1-2-8-14-12(11)16/h10-11H,1-9,13H2,(H,14,16)
InChIKeyVJICMSXULABYNB-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.47
Rot. Bonds4

About 3-[2-aminoethyl(cyclobutyl)amino]azepan-2-one

3-[2-aminoethyl(cyclobutyl)amino]azepan-2-one (PubChem CID 102875137) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-[2-aminoethyl(cyclobutyl)amino]azepan-2-one.

Molecular Properties

Compound Name3-[2-aminoethyl(cyclobutyl)amino]azepan-2-one
PubChem CID102875137
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-[2-aminoethyl(cyclobutyl)amino]azepan-2-one
SMILESNCCN(C1CCC1)C1CCCCNC1=O
InChIInChI=1S/C12H23N3O/c13-7-9-15(10-4-3-5-10)11-6-1-2-8-14-12(11)16/h10-11H,1-9,13H2,(H,14,16)
InChIKeyVJICMSXULABYNB-UHFFFAOYSA-N
XLogP0.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-aminoethyl(ethyl)amino]azepan-2-one
CID 61350282
3-[cyclopropyl(piperidin-4-ylmethyl)amino]azepan-2-one
CID 79714119
N',N'-dicyclopentylethane-1,2-diamine
CID 20816831
3-[3-aminopropyl(propyl)amino]azepan-2-one
CID 43137367
3-[bis(2-hydroxyethyl)amino]azepan-2-one
CID 62021702
3-[2-iodoethyl(methyl)amino]azepan-2-one
CID 131019285
3-[methyl(piperidin-2-ylmethyl)amino]azepan-2-one
CID 106635412
3-[ethyl(2-hydroxyethyl)amino]azepan-2-one
CID 62021591
3-[N-(3-aminopropyl)-3-fluoroanilino]azepan-2-one
CID 43319071
3-[3-hydroxybutyl(methyl)amino]azepan-2-one
CID 115773325
3-(2-amino-N-propylanilino)azepan-2-one
CID 63230674
3-(4-aminobutan-2-ylsulfanyl)azepan-2-one
CID 66228606

Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(cyclobutyl)amino]azepan-2-one?
The IUPAC name of 3-[2-aminoethyl(cyclobutyl)amino]azepan-2-one (CID 102875137) is 3-[2-aminoethyl(cyclobutyl)amino]azepan-2-one.
What is the SMILES notation for 3-[2-aminoethyl(cyclobutyl)amino]azepan-2-one?
The canonical SMILES for 3-[2-aminoethyl(cyclobutyl)amino]azepan-2-one is NCCN(C1CCC1)C1CCCCNC1=O.
What is the InChIKey of 3-[2-aminoethyl(cyclobutyl)amino]azepan-2-one?
The InChIKey is VJICMSXULABYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c13-7-9-15(10-4-3-5-10)11-6-1-2-8-14-12(11)16/h10-11H,1-9,13H2,(H,14,16).
What are the key properties of 3-[2-aminoethyl(cyclobutyl)amino]azepan-2-one?
3-[2-aminoethyl(cyclobutyl)amino]azepan-2-one has a molecular weight of 225.34 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl(cyclobutyl)amino]azepan-2-one is sourced from PubChem (CID 102875137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).