1,5-bis(2,6-dimethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine

C22H44N4O3 — CID 19989288

IUPAC1,5-bis(2,6-dimethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine
SMILESCC1CN(CCC(N)(CCN2CC(C)OC(C)C2)CN2CCOCC2)CC(C)O1
InChIInChI=1S/C22H44N4O3/c1-18-13-25(14-19(2)28-18)7-5-22(23,17-24-9-11-27-12-10-24)6-8-26-15-20(3)29-21(4)16-26/h18-21H,5-17,23H2,1-4H3
InChIKeyUWDHUPNKCBXGMX-UHFFFAOYSA-N
MW412.62 g/mol
LogP1.01
Rot. Bonds8

About 1,5-bis(2,6-dimethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine

1,5-bis(2,6-dimethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine (PubChem CID 19989288) has the molecular formula C22H44N4O3 and a molecular weight of 412.62 g/mol. Its IUPAC name is 1,5-bis(2,6-dimethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine.

Molecular Properties

Compound Name1,5-bis(2,6-dimethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine
PubChem CID19989288
Molecular FormulaC22H44N4O3
Molecular Weight412.62 g/mol
Exact Mass412.34
IUPAC Name1,5-bis(2,6-dimethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine
SMILESCC1CN(CCC(N)(CCN2CC(C)OC(C)C2)CN2CCOCC2)CC(C)O1
InChIInChI=1S/C22H44N4O3/c1-18-13-25(14-19(2)28-18)7-5-22(23,17-24-9-11-27-12-10-24)6-8-26-15-20(3)29-21(4)16-26/h18-21H,5-17,23H2,1-4H3
InChIKeyUWDHUPNKCBXGMX-UHFFFAOYSA-N
XLogP1.01
TPSA63.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.62
LogP ≤ 51.01
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-(morpholin-4-ylmethyl)pentan-3-amine?
The IUPAC name of 1,5-bis(2,6-dimethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine (CID 19989288) is 1,5-bis(2,6-dimethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine.
What is the SMILES notation for 1,5-bis(2,6-dimethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine?
The canonical SMILES for 1,5-bis(2,6-dimethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine is CC1CN(CCC(N)(CCN2CC(C)OC(C)C2)CN2CCOCC2)CC(C)O1.
What is the InChIKey of 1,5-bis(2,6-dimethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine?
The InChIKey is UWDHUPNKCBXGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N4O3/c1-18-13-25(14-19(2)28-18)7-5-22(23,17-24-9-11-27-12-10-24)6-8-26-15-20(3)29-21(4)16-26/h18-21H,5-17,23H2,1-4H3.
What are the key properties of 1,5-bis(2,6-dimethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine?
1,5-bis(2,6-dimethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine has a molecular weight of 412.62 g/mol, XLogP of 1.01, 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-(morpholin-4-ylmethyl)pentan-3-amine is sourced from PubChem (CID 19989288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).