1-(2-amino-2-cyclopentylethyl)-5-propan-2-ylazepan-2-one

C16H30N2O — CID 104747788

IUPAC1-(2-amino-2-cyclopentylethyl)-5-propan-2-ylazepan-2-one
SMILESCC(C)C1CCC(=O)N(CC(N)C2CCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-12(2)13-7-8-16(19)18(10-9-13)11-15(17)14-5-3-4-6-14/h12-15H,3-11,17H2,1-2H3
InChIKeySZVDTISQMLININ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.79
Rot. Bonds4

About 1-(2-amino-2-cyclopentylethyl)-5-propan-2-ylazepan-2-one

1-(2-amino-2-cyclopentylethyl)-5-propan-2-ylazepan-2-one (PubChem CID 104747788) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(2-amino-2-cyclopentylethyl)-5-propan-2-ylazepan-2-one.

Molecular Properties

Compound Name1-(2-amino-2-cyclopentylethyl)-5-propan-2-ylazepan-2-one
PubChem CID104747788
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(2-amino-2-cyclopentylethyl)-5-propan-2-ylazepan-2-one
SMILESCC(C)C1CCC(=O)N(CC(N)C2CCCC2)CC1
InChIInChI=1S/C16H30N2O/c1-12(2)13-7-8-16(19)18(10-9-13)11-15(17)14-5-3-4-6-14/h12-15H,3-11,17H2,1-2H3
InChIKeySZVDTISQMLININ-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydroxypropyl)-5-propan-2-ylazepan-2-one
CID 115773415
1-(3-bromo-2-phenylpropyl)-5-propan-2-ylazepan-2-one
CID 65014455
1-[(2R)-2-aminopropyl]-5-ethylazepan-2-one
CID 103934825
1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-propan-2-ylazepan-2-one
CID 104747789
1-[[1-(bromomethyl)cyclopropyl]methyl]-5-propan-2-ylazepan-2-one
CID 65008904
5-propan-2-yl-1-propylpiperidin-2-one
CID 139951370
3-(2-amino-2-cyclohexylethyl)-1,3-oxazolidin-2-one
CID 104747274
1-[2-(chloromethyl)prop-2-enyl]-5-propan-2-ylazepan-2-one
CID 103065800
1-[2-amino-2-(oxolan-3-yl)ethyl]pyrrolidin-2-one
CID 104747033
1-(6-amino-5,5-dimethylhexyl)-5-propan-2-ylazepan-2-one
CID 106708421
1-(2-cyclohexyl-2-hydroxyethyl)-5-propylazepan-2-one
CID 104753272
2-(2-amino-2-cyclopentylethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 104747943

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-cyclopentylethyl)-5-propan-2-ylazepan-2-one?
The IUPAC name of 1-(2-amino-2-cyclopentylethyl)-5-propan-2-ylazepan-2-one (CID 104747788) is 1-(2-amino-2-cyclopentylethyl)-5-propan-2-ylazepan-2-one.
What is the SMILES notation for 1-(2-amino-2-cyclopentylethyl)-5-propan-2-ylazepan-2-one?
The canonical SMILES for 1-(2-amino-2-cyclopentylethyl)-5-propan-2-ylazepan-2-one is CC(C)C1CCC(=O)N(CC(N)C2CCCC2)CC1.
What is the InChIKey of 1-(2-amino-2-cyclopentylethyl)-5-propan-2-ylazepan-2-one?
The InChIKey is SZVDTISQMLININ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-12(2)13-7-8-16(19)18(10-9-13)11-15(17)14-5-3-4-6-14/h12-15H,3-11,17H2,1-2H3.
What are the key properties of 1-(2-amino-2-cyclopentylethyl)-5-propan-2-ylazepan-2-one?
1-(2-amino-2-cyclopentylethyl)-5-propan-2-ylazepan-2-one has a molecular weight of 266.43 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-cyclopentylethyl)-5-propan-2-ylazepan-2-one is sourced from PubChem (CID 104747788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).