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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Related Compounds

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CID 19989284
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CID 19989288
CID 19989288
CID 54066041
CID 54066041
CID 54082982
CID 54082982
CID 54345253
CID 54345253
CID 54523582
CID 54523582
CID 67928014
CID 67928014
CID 67928015
CID 67928015
CID 67928018
CID 67928018

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).