2-(6-methyl-1,4-oxazepan-4-yl)cyclopentan-1-amine

C11H22N2O — CID 130987327

IUPAC2-(6-methyl-1,4-oxazepan-4-yl)cyclopentan-1-amine
SMILESCC1COCCN(C2CCCC2N)C1
InChIInChI=1S/C11H22N2O/c1-9-7-13(5-6-14-8-9)11-4-2-3-10(11)12/h9-11H,2-8,12H2,1H3
InChIKeyNLLQNSRRJJLMNM-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.83
Rot. Bonds1

About 2-(6-methyl-1,4-oxazepan-4-yl)cyclopentan-1-amine

2-(6-methyl-1,4-oxazepan-4-yl)cyclopentan-1-amine (PubChem CID 130987327) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(6-methyl-1,4-oxazepan-4-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-(6-methyl-1,4-oxazepan-4-yl)cyclopentan-1-amine
PubChem CID130987327
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-(6-methyl-1,4-oxazepan-4-yl)cyclopentan-1-amine
SMILESCC1COCCN(C2CCCC2N)C1
InChIInChI=1S/C11H22N2O/c1-9-7-13(5-6-14-8-9)11-4-2-3-10(11)12/h9-11H,2-8,12H2,1H3
InChIKeyNLLQNSRRJJLMNM-UHFFFAOYSA-N
XLogP0.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1,4-oxazepan-4-yl)cyclopentan-1-amine?
The IUPAC name of 2-(6-methyl-1,4-oxazepan-4-yl)cyclopentan-1-amine (CID 130987327) is 2-(6-methyl-1,4-oxazepan-4-yl)cyclopentan-1-amine.
What is the SMILES notation for 2-(6-methyl-1,4-oxazepan-4-yl)cyclopentan-1-amine?
The canonical SMILES for 2-(6-methyl-1,4-oxazepan-4-yl)cyclopentan-1-amine is CC1COCCN(C2CCCC2N)C1.
What is the InChIKey of 2-(6-methyl-1,4-oxazepan-4-yl)cyclopentan-1-amine?
The InChIKey is NLLQNSRRJJLMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9-7-13(5-6-14-8-9)11-4-2-3-10(11)12/h9-11H,2-8,12H2,1H3.
What are the key properties of 2-(6-methyl-1,4-oxazepan-4-yl)cyclopentan-1-amine?
2-(6-methyl-1,4-oxazepan-4-yl)cyclopentan-1-amine has a molecular weight of 198.31 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1,4-oxazepan-4-yl)cyclopentan-1-amine is sourced from PubChem (CID 130987327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).