4-(azepan-2-ylmethyl)morpholine

C11H22N2O — CID 4715240

IUPAC4-(azepan-2-ylmethyl)morpholine
SMILESC1CCNC(CN2CCOCC2)CC1
InChIInChI=1S/C11H22N2O/c1-2-4-11(12-5-3-1)10-13-6-8-14-9-7-13/h11-12H,1-10H2
InChIKeyPHUZESDXHKGAHC-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds2

About 4-(azepan-2-ylmethyl)morpholine

4-(azepan-2-ylmethyl)morpholine (PubChem CID 4715240) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-(azepan-2-ylmethyl)morpholine.

Molecular Properties

Compound Name4-(azepan-2-ylmethyl)morpholine
PubChem CID4715240
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-(azepan-2-ylmethyl)morpholine
SMILESC1CCNC(CN2CCOCC2)CC1
InChIInChI=1S/C11H22N2O/c1-2-4-11(12-5-3-1)10-13-6-8-14-9-7-13/h11-12H,1-10H2
InChIKeyPHUZESDXHKGAHC-UHFFFAOYSA-N
XLogP0.85
TPSA24.50 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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(azepan-2-ylmethyl)morpholine?
The IUPAC name of 4-(azepan-2-ylmethyl)morpholine (CID 4715240) is 4-(azepan-2-ylmethyl)morpholine.
What is the SMILES notation for 4-(azepan-2-ylmethyl)morpholine?
The canonical SMILES for 4-(azepan-2-ylmethyl)morpholine is C1CCNC(CN2CCOCC2)CC1.
What is the InChIKey of 4-(azepan-2-ylmethyl)morpholine?
The InChIKey is PHUZESDXHKGAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-4-11(12-5-3-1)10-13-6-8-14-9-7-13/h11-12H,1-10H2.
What are the key properties of 4-(azepan-2-ylmethyl)morpholine?
4-(azepan-2-ylmethyl)morpholine has a molecular weight of 198.31 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-2-ylmethyl)morpholine is sourced from PubChem (CID 4715240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).