2-(2-aminoethyl)-1-benzylazepan-3-one

C15H22N2O — CID 83488222

IUPAC2-(2-aminoethyl)-1-benzylazepan-3-one
SMILESNCCC1C(=O)CCCCN1Cc1ccccc1
InChIInChI=1S/C15H22N2O/c16-10-9-14-15(18)8-4-5-11-17(14)12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12,16H2
InChIKeyRCTDWRBLBPUFMG-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.96
Rot. Bonds4

About 2-(2-aminoethyl)-1-benzylazepan-3-one

2-(2-aminoethyl)-1-benzylazepan-3-one (PubChem CID 83488222) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(2-aminoethyl)-1-benzylazepan-3-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-1-benzylazepan-3-one
PubChem CID83488222
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(2-aminoethyl)-1-benzylazepan-3-one
SMILESNCCC1C(=O)CCCCN1Cc1ccccc1
InChIInChI=1S/C15H22N2O/c16-10-9-14-15(18)8-4-5-11-17(14)12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12,16H2
InChIKeyRCTDWRBLBPUFMG-UHFFFAOYSA-N
XLogP1.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2S)-1-benzylazepan-2-yl]cyclopentan-1-one
CID 99978810
1-benzyl-2-ethylpyrrolidin-3-one
CID 83848143
1-benzyl-2,3,3a,5,6,7,8,8a-octahydrocyclohepta[b]pyrrol-4-one
CID 78090939
2-(1-benzyl-2-methylpiperidin-3-yl)ethanamine
CID 83850522
(3aS,7aS)-1-benzyl-3,3a,5,6,7,7a-hexahydro-2H-indol-4-one
CID 86591295
3-(1-benzylazepan-2-yl)propan-1-amine
CID 83488248
(4aR,7aR)-1-benzyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one
CID 7200726
1-benzyl-3,4,4a,5,6,7a-hexahydro-2H-cyclopenta[b]pyridin-7-one
CID 83823768
2-(1-benzyl-2-methylpyrrolidin-3-yl)ethanamine
CID 83849332
1-benzyl-3-ethenylidene-2-propylazepane
CID 134982432
(2R)-1-benzylpiperidin-2-amine
CID 97050484
1-benzyl-2,3-dimethylpiperidin-4-one;hydrochloride
CID 53444394

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-1-benzylazepan-3-one?
The IUPAC name of 2-(2-aminoethyl)-1-benzylazepan-3-one (CID 83488222) is 2-(2-aminoethyl)-1-benzylazepan-3-one.
What is the SMILES notation for 2-(2-aminoethyl)-1-benzylazepan-3-one?
The canonical SMILES for 2-(2-aminoethyl)-1-benzylazepan-3-one is NCCC1C(=O)CCCCN1Cc1ccccc1.
What is the InChIKey of 2-(2-aminoethyl)-1-benzylazepan-3-one?
The InChIKey is RCTDWRBLBPUFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c16-10-9-14-15(18)8-4-5-11-17(14)12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12,16H2.
What are the key properties of 2-(2-aminoethyl)-1-benzylazepan-3-one?
2-(2-aminoethyl)-1-benzylazepan-3-one has a molecular weight of 246.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-1-benzylazepan-3-one is sourced from PubChem (CID 83488222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).