4-[(4-methyl-1,4-diazepan-1-yl)methyl]morpholine

C11H23N3O — CID 140988705

IUPAC4-[(4-methyl-1,4-diazepan-1-yl)methyl]morpholine
SMILESCN1CCCN(CN2CCOCC2)CC1
InChIInChI=1S/C11H23N3O/c1-12-3-2-4-13(6-5-12)11-14-7-9-15-10-8-14/h2-11H2,1H3
InChIKeyKFJYZFFNYKDCGC-UHFFFAOYSA-N
MW213.32 g/mol
LogP-0.09
Rot. Bonds2

About 4-[(4-methyl-1,4-diazepan-1-yl)methyl]morpholine

4-[(4-methyl-1,4-diazepan-1-yl)methyl]morpholine (PubChem CID 140988705) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-[(4-methyl-1,4-diazepan-1-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-methyl-1,4-diazepan-1-yl)methyl]morpholine
PubChem CID140988705
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name4-[(4-methyl-1,4-diazepan-1-yl)methyl]morpholine
SMILESCN1CCCN(CN2CCOCC2)CC1
InChIInChI=1S/C11H23N3O/c1-12-3-2-4-13(6-5-12)11-14-7-9-15-10-8-14/h2-11H2,1H3
InChIKeyKFJYZFFNYKDCGC-UHFFFAOYSA-N
XLogP-0.09
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,4-diazepan-1-yl)methyl]morpholine?
The IUPAC name of 4-[(4-methyl-1,4-diazepan-1-yl)methyl]morpholine (CID 140988705) is 4-[(4-methyl-1,4-diazepan-1-yl)methyl]morpholine.
What is the SMILES notation for 4-[(4-methyl-1,4-diazepan-1-yl)methyl]morpholine?
The canonical SMILES for 4-[(4-methyl-1,4-diazepan-1-yl)methyl]morpholine is CN1CCCN(CN2CCOCC2)CC1.
What is the InChIKey of 4-[(4-methyl-1,4-diazepan-1-yl)methyl]morpholine?
The InChIKey is KFJYZFFNYKDCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-12-3-2-4-13(6-5-12)11-14-7-9-15-10-8-14/h2-11H2,1H3.
What are the key properties of 4-[(4-methyl-1,4-diazepan-1-yl)methyl]morpholine?
4-[(4-methyl-1,4-diazepan-1-yl)methyl]morpholine has a molecular weight of 213.32 g/mol, XLogP of -0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,4-diazepan-1-yl)methyl]morpholine is sourced from PubChem (CID 140988705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).