[1-(1,4-oxazepan-4-yl)cyclopentyl]methanamine

C11H22N2O — CID 62987248

IUPAC[1-(1,4-oxazepan-4-yl)cyclopentyl]methanamine
SMILESNCC1(N2CCCOCC2)CCCC1
InChIInChI=1S/C11H22N2O/c12-10-11(4-1-2-5-11)13-6-3-8-14-9-7-13/h1-10,12H2
InChIKeyIVJBEGIHXJHXNR-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.98
Rot. Bonds2

About [1-(1,4-oxazepan-4-yl)cyclopentyl]methanamine

[1-(1,4-oxazepan-4-yl)cyclopentyl]methanamine (PubChem CID 62987248) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is [1-(1,4-oxazepan-4-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(1,4-oxazepan-4-yl)cyclopentyl]methanamine
PubChem CID62987248
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name[1-(1,4-oxazepan-4-yl)cyclopentyl]methanamine
SMILESNCC1(N2CCCOCC2)CCCC1
InChIInChI=1S/C11H22N2O/c12-10-11(4-1-2-5-11)13-6-3-8-14-9-7-13/h1-10,12H2
InChIKeyIVJBEGIHXJHXNR-UHFFFAOYSA-N
XLogP0.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1,4-oxazepan-4-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(1,4-oxazepan-4-yl)cyclopentyl]methanamine (CID 62987248) is [1-(1,4-oxazepan-4-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(1,4-oxazepan-4-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(1,4-oxazepan-4-yl)cyclopentyl]methanamine is NCC1(N2CCCOCC2)CCCC1.
What is the InChIKey of [1-(1,4-oxazepan-4-yl)cyclopentyl]methanamine?
The InChIKey is IVJBEGIHXJHXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c12-10-11(4-1-2-5-11)13-6-3-8-14-9-7-13/h1-10,12H2.
What are the key properties of [1-(1,4-oxazepan-4-yl)cyclopentyl]methanamine?
[1-(1,4-oxazepan-4-yl)cyclopentyl]methanamine has a molecular weight of 198.31 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,4-oxazepan-4-yl)cyclopentyl]methanamine is sourced from PubChem (CID 62987248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).