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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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).