1,5-bis(2,6-dimethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine

C23H46N4O3 — CID 67928011

IUPAC1,5-bis(2,6-dimethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine
SMILESCC1CN(CC(N)(CCN2CC(C)OC(C)C2)CCN2CC(C)OC(C)C2)CCO1
InChIInChI=1S/C23H46N4O3/c1-18-12-27(10-11-28-18)17-23(24,6-8-25-13-19(2)29-20(3)14-25)7-9-26-15-21(4)30-22(5)16-26/h18-22H,6-17,24H2,1-5H3
InChIKeyRYBYDLUNGQYKNX-UHFFFAOYSA-N
MW426.65 g/mol
LogP1.40
Rot. Bonds8

About 1,5-bis(2,6-dimethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine

1,5-bis(2,6-dimethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine (PubChem CID 67928011) has the molecular formula C23H46N4O3 and a molecular weight of 426.65 g/mol. Its IUPAC name is 1,5-bis(2,6-dimethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name1,5-bis(2,6-dimethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine
PubChem CID67928011
Molecular FormulaC23H46N4O3
Molecular Weight426.65 g/mol
Exact Mass426.36
IUPAC Name1,5-bis(2,6-dimethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine
SMILESCC1CN(CC(N)(CCN2CC(C)OC(C)C2)CCN2CC(C)OC(C)C2)CCO1
InChIInChI=1S/C23H46N4O3/c1-18-12-27(10-11-28-18)17-23(24,6-8-25-13-19(2)29-20(3)14-25)7-9-26-15-21(4)30-22(5)16-26/h18-22H,6-17,24H2,1-5H3
InChIKeyRYBYDLUNGQYKNX-UHFFFAOYSA-N
XLogP1.40
TPSA63.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.65
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(2,6-dimethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine?
The IUPAC name of 1,5-bis(2,6-dimethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine (CID 67928011) is 1,5-bis(2,6-dimethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine.
What is the SMILES notation for 1,5-bis(2,6-dimethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine?
The canonical SMILES for 1,5-bis(2,6-dimethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine is CC1CN(CC(N)(CCN2CC(C)OC(C)C2)CCN2CC(C)OC(C)C2)CCO1.
What is the InChIKey of 1,5-bis(2,6-dimethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine?
The InChIKey is RYBYDLUNGQYKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N4O3/c1-18-12-27(10-11-28-18)17-23(24,6-8-25-13-19(2)29-20(3)14-25)7-9-26-15-21(4)30-22(5)16-26/h18-22H,6-17,24H2,1-5H3.
What are the key properties of 1,5-bis(2,6-dimethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine?
1,5-bis(2,6-dimethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine has a molecular weight of 426.65 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(2,6-dimethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine is sourced from PubChem (CID 67928011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).