4-[3-(7-methyl-1,4-diazepan-1-yl)propyl]morpholine

C13H27N3O — CID 82243837

IUPAC4-[3-(7-methyl-1,4-diazepan-1-yl)propyl]morpholine
SMILESCC1CCNCCN1CCCN1CCOCC1
InChIInChI=1S/C13H27N3O/c1-13-3-4-14-5-8-16(13)7-2-6-15-9-11-17-12-10-15/h13-14H,2-12H2,1H3
InChIKeyWFLUXXRKLOHVEJ-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.39
Rot. Bonds4

About 4-[3-(7-methyl-1,4-diazepan-1-yl)propyl]morpholine

4-[3-(7-methyl-1,4-diazepan-1-yl)propyl]morpholine (PubChem CID 82243837) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-[3-(7-methyl-1,4-diazepan-1-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(7-methyl-1,4-diazepan-1-yl)propyl]morpholine
PubChem CID82243837
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-[3-(7-methyl-1,4-diazepan-1-yl)propyl]morpholine
SMILESCC1CCNCCN1CCCN1CCOCC1
InChIInChI=1S/C13H27N3O/c1-13-3-4-14-5-8-16(13)7-2-6-15-9-11-17-12-10-15/h13-14H,2-12H2,1H3
InChIKeyWFLUXXRKLOHVEJ-UHFFFAOYSA-N
XLogP0.39
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-hexyl-7-methyl-1,4-diazepane
CID 64870586
ethane;4-(2-piperazin-1-ylethyl)morpholine
CID 143985030
4-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoxalin-1-yl)propyl]morpholine
CID 102571272
1-[3-(2-methoxyethoxy)propyl]-7-methyl-1,4-diazepane
CID 103414508
7-methyl-1-(3-methylbutyl)-1,4-diazepane
CID 64870978
4-[2-(2-methyl-1,4-diazepan-1-yl)ethyl]morpholine
CID 82242594
7-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]-1,4-diazepane
CID 64870390
3-methyl-4-(3-piperidin-4-yloxypropyl)morpholine
CID 63905297
[(2R)-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-yl]methanol
CID 111487572
7-methyl-1-[3-(4-methylphenoxy)propyl]-1,4-diazepane
CID 82246475
N-(2-morpholin-4-ylethyl)piperidin-4-amine
CID 61016051
1-[4-(oxan-4-yl)butyl]piperazine
CID 116928640

Frequently Asked Questions

What is the IUPAC name of 4-[3-(7-methyl-1,4-diazepan-1-yl)propyl]morpholine?
The IUPAC name of 4-[3-(7-methyl-1,4-diazepan-1-yl)propyl]morpholine (CID 82243837) is 4-[3-(7-methyl-1,4-diazepan-1-yl)propyl]morpholine.
What is the SMILES notation for 4-[3-(7-methyl-1,4-diazepan-1-yl)propyl]morpholine?
The canonical SMILES for 4-[3-(7-methyl-1,4-diazepan-1-yl)propyl]morpholine is CC1CCNCCN1CCCN1CCOCC1.
What is the InChIKey of 4-[3-(7-methyl-1,4-diazepan-1-yl)propyl]morpholine?
The InChIKey is WFLUXXRKLOHVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-13-3-4-14-5-8-16(13)7-2-6-15-9-11-17-12-10-15/h13-14H,2-12H2,1H3.
What are the key properties of 4-[3-(7-methyl-1,4-diazepan-1-yl)propyl]morpholine?
4-[3-(7-methyl-1,4-diazepan-1-yl)propyl]morpholine has a molecular weight of 241.38 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(7-methyl-1,4-diazepan-1-yl)propyl]morpholine is sourced from PubChem (CID 82243837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).