6-(aminomethyl)-1-phenylazepan-2-one

C13H18N2O — CID 84683954

IUPAC6-(aminomethyl)-1-phenylazepan-2-one
SMILESNCC1CCCC(=O)N(c2ccccc2)C1
InChIInChI=1S/C13H18N2O/c14-9-11-5-4-8-13(16)15(10-11)12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10,14H2
InChIKeyYHZIGGNSOZLCND-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.78
Rot. Bonds2

About 6-(aminomethyl)-1-phenylazepan-2-one

6-(aminomethyl)-1-phenylazepan-2-one (PubChem CID 84683954) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-(aminomethyl)-1-phenylazepan-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-1-phenylazepan-2-one
PubChem CID84683954
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name6-(aminomethyl)-1-phenylazepan-2-one
SMILESNCC1CCCC(=O)N(c2ccccc2)C1
InChIInChI=1S/C13H18N2O/c14-9-11-5-4-8-13(16)15(10-11)12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10,14H2
InChIKeyYHZIGGNSOZLCND-UHFFFAOYSA-N
XLogP1.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-amino-1-phenylpiperidin-2-one
CID 91616936
4-(aminomethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one
CID 168660724
4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
1-phenyl-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672207
6-amino-1-(4-methylphenyl)azepan-2-one
CID 84683957
4-(aminomethyl)-1-(3-benzoylphenyl)pyrrolidin-2-one
CID 168661228
(3S)-N'-hydroxy-6-oxo-1-phenylpiperidine-3-carboximidamide
CID 125449083
4-(aminomethyl)-1-[4-(azepan-1-yl)phenyl]pyrrolidin-2-one
CID 168660723
3-cyclopentyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 16918197
5-(2-aminoethyl)-3-phenyl-1,3-oxazinan-2-one
CID 117002393
4-(chloromethyl)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 168509492
4-(aminomethyl)-1-(3-ethynylphenyl)pyrrolidin-2-one
CID 168659047

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-1-phenylazepan-2-one?
The IUPAC name of 6-(aminomethyl)-1-phenylazepan-2-one (CID 84683954) is 6-(aminomethyl)-1-phenylazepan-2-one.
What is the SMILES notation for 6-(aminomethyl)-1-phenylazepan-2-one?
The canonical SMILES for 6-(aminomethyl)-1-phenylazepan-2-one is NCC1CCCC(=O)N(c2ccccc2)C1.
What is the InChIKey of 6-(aminomethyl)-1-phenylazepan-2-one?
The InChIKey is YHZIGGNSOZLCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-9-11-5-4-8-13(16)15(10-11)12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10,14H2.
What are the key properties of 6-(aminomethyl)-1-phenylazepan-2-one?
6-(aminomethyl)-1-phenylazepan-2-one has a molecular weight of 218.30 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-1-phenylazepan-2-one is sourced from PubChem (CID 84683954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).