3-(4-aminocyclohexyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one

C15H28N2O2 — CID 62968735

IUPAC3-(4-aminocyclohexyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
SMILESCC1CN(C(=O)CCC2CCC(N)CC2)CCCO1
InChIInChI=1S/C15H28N2O2/c1-12-11-17(9-2-10-19-12)15(18)8-5-13-3-6-14(16)7-4-13/h12-14H,2-11,16H2,1H3
InChIKeyLAQRAWOYIPDGRY-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.92
Rot. Bonds3

About 3-(4-aminocyclohexyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one

3-(4-aminocyclohexyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one (PubChem CID 62968735) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-(4-aminocyclohexyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-aminocyclohexyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
PubChem CID62968735
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-(4-aminocyclohexyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
SMILESCC1CN(C(=O)CCC2CCC(N)CC2)CCCO1
InChIInChI=1S/C15H28N2O2/c1-12-11-17(9-2-10-19-12)15(18)8-5-13-3-6-14(16)7-4-13/h12-14H,2-11,16H2,1H3
InChIKeyLAQRAWOYIPDGRY-UHFFFAOYSA-N
XLogP1.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-aminocyclohexyl)-1-(2-ethylmorpholin-4-yl)propan-1-one
CID 55116609
3-(methylamino)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 62973098
5-chloro-1-(2-methyl-1,4-oxazepan-4-yl)pentan-1-one
CID 62986786
2-methyl-1,4-oxazepane-4-carboxamide
CID 62973061
2-(azetidin-3-yl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 64609795
2-(1-aminocyclopentyl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 64679754
3-(4-aminocyclohexyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 66370717
1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one
CID 102978602
3-(2-aminophenyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 62969229
3-(4-aminocyclohexyl)-1-(3-methoxy-3-methylpiperidin-1-yl)propan-1-one
CID 107395786
3-(4-aminocyclohexyl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 55116653
1-(3-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 47026166

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminocyclohexyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one?
The IUPAC name of 3-(4-aminocyclohexyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one (CID 62968735) is 3-(4-aminocyclohexyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one.
What is the SMILES notation for 3-(4-aminocyclohexyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one?
The canonical SMILES for 3-(4-aminocyclohexyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one is CC1CN(C(=O)CCC2CCC(N)CC2)CCCO1.
What is the InChIKey of 3-(4-aminocyclohexyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one?
The InChIKey is LAQRAWOYIPDGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12-11-17(9-2-10-19-12)15(18)8-5-13-3-6-14(16)7-4-13/h12-14H,2-11,16H2,1H3.
What are the key properties of 3-(4-aminocyclohexyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one?
3-(4-aminocyclohexyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminocyclohexyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one is sourced from PubChem (CID 62968735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).