4-methyl-2-[(3-propyl-1,4-diazepan-1-yl)methyl]morpholine

C14H29N3O — CID 79076925

IUPAC4-methyl-2-[(3-propyl-1,4-diazepan-1-yl)methyl]morpholine
SMILESCCCC1CN(CC2CN(C)CCO2)CCCN1
InChIInChI=1S/C14H29N3O/c1-3-5-13-10-17(7-4-6-15-13)12-14-11-16(2)8-9-18-14/h13-15H,3-12H2,1-2H3
InChIKeyWTCSJXOXXWNHPP-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.78
Rot. Bonds4

About 4-methyl-2-[(3-propyl-1,4-diazepan-1-yl)methyl]morpholine

4-methyl-2-[(3-propyl-1,4-diazepan-1-yl)methyl]morpholine (PubChem CID 79076925) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 4-methyl-2-[(3-propyl-1,4-diazepan-1-yl)methyl]morpholine.

Molecular Properties

Compound Name4-methyl-2-[(3-propyl-1,4-diazepan-1-yl)methyl]morpholine
PubChem CID79076925
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name4-methyl-2-[(3-propyl-1,4-diazepan-1-yl)methyl]morpholine
SMILESCCCC1CN(CC2CN(C)CCO2)CCCN1
InChIInChI=1S/C14H29N3O/c1-3-5-13-10-17(7-4-6-15-13)12-14-11-16(2)8-9-18-14/h13-15H,3-12H2,1-2H3
InChIKeyWTCSJXOXXWNHPP-UHFFFAOYSA-N
XLogP0.78
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(3-propan-2-yl-1,4-diazepan-1-yl)methyl]morpholine
CID 79076926
1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-propyl-1,4-diazepane
CID 64951002
1,3-dipropyl-1,4-diazepane
CID 64870092
1-[(1-ethylpiperidin-4-yl)methyl]-3-propyl-1,4-diazepane
CID 64949336
1-(1,4-dioxan-2-ylmethyl)-3-ethyl-1,4-diazepane
CID 64944587
ethane;4-methyl-2-(piperazin-1-ylmethyl)morpholine
CID 144702613
2-[1-[(4-methylmorpholin-2-yl)methyl]piperidin-3-yl]ethanol
CID 112734129
1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3-propyl-1,4-diazepane
CID 79620232
(3R,4S)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3,4-diol
CID 115278442
4-methyl-2-propyl-1,4-oxazepane
CID 165407409
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methylmorpholine
CID 115314333
4-methyl-2-(piperidin-2-ylmethoxymethyl)morpholine
CID 79181998

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3-propyl-1,4-diazepan-1-yl)methyl]morpholine?
The IUPAC name of 4-methyl-2-[(3-propyl-1,4-diazepan-1-yl)methyl]morpholine (CID 79076925) is 4-methyl-2-[(3-propyl-1,4-diazepan-1-yl)methyl]morpholine.
What is the SMILES notation for 4-methyl-2-[(3-propyl-1,4-diazepan-1-yl)methyl]morpholine?
The canonical SMILES for 4-methyl-2-[(3-propyl-1,4-diazepan-1-yl)methyl]morpholine is CCCC1CN(CC2CN(C)CCO2)CCCN1.
What is the InChIKey of 4-methyl-2-[(3-propyl-1,4-diazepan-1-yl)methyl]morpholine?
The InChIKey is WTCSJXOXXWNHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-3-5-13-10-17(7-4-6-15-13)12-14-11-16(2)8-9-18-14/h13-15H,3-12H2,1-2H3.
What are the key properties of 4-methyl-2-[(3-propyl-1,4-diazepan-1-yl)methyl]morpholine?
4-methyl-2-[(3-propyl-1,4-diazepan-1-yl)methyl]morpholine has a molecular weight of 255.41 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3-propyl-1,4-diazepan-1-yl)methyl]morpholine is sourced from PubChem (CID 79076925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).