1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanamine

C12H24N2O — CID 104746036

IUPAC1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanamine
SMILESNC(CN1CCCOCC1)C1CCCC1
InChIInChI=1S/C12H24N2O/c13-12(11-4-1-2-5-11)10-14-6-3-8-15-9-7-14/h11-12H,1-10,13H2
InChIKeyINQHXTUKZDOPLY-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.23
Rot. Bonds3

About 1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanamine

1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanamine (PubChem CID 104746036) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanamine
PubChem CID104746036
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanamine
SMILESNC(CN1CCCOCC1)C1CCCC1
InChIInChI=1S/C12H24N2O/c13-12(11-4-1-2-5-11)10-14-6-3-8-15-9-7-14/h11-12H,1-10,13H2
InChIKeyINQHXTUKZDOPLY-UHFFFAOYSA-N
XLogP1.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-2-piperidin-1-ylethanamine
CID 82399234
1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanol
CID 104752821
1-cyclohexyl-2-(4-ethylpiperazin-1-yl)ethanamine
CID 104744254
1-cyclohexyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 113448062
2-(4-cyclopentylpiperazin-1-yl)-1-cyclopropylethanamine
CID 63914772
2-(azepan-1-yl)-1-(1-methylpiperidin-4-yl)ethanamine
CID 117238621
2-(azepan-1-yl)-1-(thian-4-yl)ethanamine
CID 117238618
N-(1-cyclohexylethyl)-1-morpholin-4-ylpropan-2-amine
CID 43779482
(1S,2R)-1-azido-1-cyclohexyl-3-morpholin-4-ylpropan-2-amine
CID 102227110
1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-amine
CID 79328295
2-cyclobutyl-3-morpholin-4-ylpropan-1-ol
CID 117245621
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-cyclohexylethanamine
CID 104744955

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanamine?
The IUPAC name of 1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanamine (CID 104746036) is 1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanamine.
What is the SMILES notation for 1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanamine?
The canonical SMILES for 1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanamine is NC(CN1CCCOCC1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanamine?
The InChIKey is INQHXTUKZDOPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c13-12(11-4-1-2-5-11)10-14-6-3-8-15-9-7-14/h11-12H,1-10,13H2.
What are the key properties of 1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanamine?
1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanamine has a molecular weight of 212.34 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanamine is sourced from PubChem (CID 104746036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).