2-[(1-aminocyclopentyl)methoxy]-1-(azepan-1-yl)propan-1-one

C15H28N2O2 — CID 64572244

IUPAC2-[(1-aminocyclopentyl)methoxy]-1-(azepan-1-yl)propan-1-one
SMILESCC(OCC1(N)CCCC1)C(=O)N1CCCCCC1
InChIInChI=1S/C15H28N2O2/c1-13(19-12-15(16)8-4-5-9-15)14(18)17-10-6-2-3-7-11-17/h13H,2-12,16H2,1H3
InChIKeyXYECPWZDXHVUIN-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.07
Rot. Bonds4

About 2-[(1-aminocyclopentyl)methoxy]-1-(azepan-1-yl)propan-1-one

2-[(1-aminocyclopentyl)methoxy]-1-(azepan-1-yl)propan-1-one (PubChem CID 64572244) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[(1-aminocyclopentyl)methoxy]-1-(azepan-1-yl)propan-1-one.

Molecular Properties

Compound Name2-[(1-aminocyclopentyl)methoxy]-1-(azepan-1-yl)propan-1-one
PubChem CID64572244
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-[(1-aminocyclopentyl)methoxy]-1-(azepan-1-yl)propan-1-one
SMILESCC(OCC1(N)CCCC1)C(=O)N1CCCCCC1
InChIInChI=1S/C15H28N2O2/c1-13(19-12-15(16)8-4-5-9-15)14(18)17-10-6-2-3-7-11-17/h13H,2-12,16H2,1H3
InChIKeyXYECPWZDXHVUIN-UHFFFAOYSA-N
XLogP2.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-aminocyclopentyl)methoxy]-1-morpholin-4-ylpropan-1-one
CID 64574605
2-[(1-aminocycloheptyl)methoxy]-N-propan-2-ylpropanamide
CID 64551906
2-[1-(aminomethyl)cyclohexyl]oxy-1-piperidin-1-ylpropan-1-one
CID 65050882
2-[(1-aminocycloheptyl)methoxy]-N-(2-methylpropyl)propanamide
CID 64551905
2-[(1-aminocycloheptyl)methoxy]-N-cyclopentylpropanamide
CID 64549979
2-[(1-aminocycloheptyl)methoxy]-N-pentylpropanamide
CID 64551486
2-[(1-aminocyclohexyl)methoxy]-N-(2-methoxyethyl)propanamide
CID 64572690
(1-aminocycloheptyl)methyl propan-2-yl carbonate
CID 79337960
1-(azocan-1-yl)-2-but-3-enoxypropan-1-one
CID 86849553
2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylpropanamide
CID 64549565
2-[(1-aminocyclohexyl)methoxy]-N-(ethylcarbamoyl)propanamide
CID 106938268
2-[(1-aminocycloheptyl)methoxy]-N-(2-methylbutan-2-yl)propanamide
CID 64548742

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclopentyl)methoxy]-1-(azepan-1-yl)propan-1-one?
The IUPAC name of 2-[(1-aminocyclopentyl)methoxy]-1-(azepan-1-yl)propan-1-one (CID 64572244) is 2-[(1-aminocyclopentyl)methoxy]-1-(azepan-1-yl)propan-1-one.
What is the SMILES notation for 2-[(1-aminocyclopentyl)methoxy]-1-(azepan-1-yl)propan-1-one?
The canonical SMILES for 2-[(1-aminocyclopentyl)methoxy]-1-(azepan-1-yl)propan-1-one is CC(OCC1(N)CCCC1)C(=O)N1CCCCCC1.
What is the InChIKey of 2-[(1-aminocyclopentyl)methoxy]-1-(azepan-1-yl)propan-1-one?
The InChIKey is XYECPWZDXHVUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-13(19-12-15(16)8-4-5-9-15)14(18)17-10-6-2-3-7-11-17/h13H,2-12,16H2,1H3.
What are the key properties of 2-[(1-aminocyclopentyl)methoxy]-1-(azepan-1-yl)propan-1-one?
2-[(1-aminocyclopentyl)methoxy]-1-(azepan-1-yl)propan-1-one has a molecular weight of 268.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclopentyl)methoxy]-1-(azepan-1-yl)propan-1-one is sourced from PubChem (CID 64572244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).