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

C20H40N4O3 — CID 54082982

IUPAC1,5-bis(2-methylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine
SMILESCC1CN(CCC(N)(CCN2CCOC(C)C2)CN2CCOCC2)CCO1
InChIInChI=1S/C20H40N4O3/c1-18-15-22(9-13-26-18)5-3-20(21,17-24-7-11-25-12-8-24)4-6-23-10-14-27-19(2)16-23/h18-19H,3-17,21H2,1-2H3
InChIKeyMOKURLNSFYURTH-UHFFFAOYSA-N
MW384.57 g/mol
LogP0.24
Rot. Bonds8

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

1,5-bis(2-methylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine (PubChem CID 54082982) has the molecular formula C20H40N4O3 and a molecular weight of 384.57 g/mol. Its IUPAC name is 1,5-bis(2-methylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine.

Molecular Properties

Compound Name1,5-bis(2-methylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine
PubChem CID54082982
Molecular FormulaC20H40N4O3
Molecular Weight384.57 g/mol
Exact Mass384.31
IUPAC Name1,5-bis(2-methylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine
SMILESCC1CN(CCC(N)(CCN2CCOC(C)C2)CN2CCOCC2)CCO1
InChIInChI=1S/C20H40N4O3/c1-18-15-22(9-13-26-18)5-3-20(21,17-24-7-11-25-12-8-24)4-6-23-10-14-27-19(2)16-23/h18-19H,3-17,21H2,1-2H3
InChIKeyMOKURLNSFYURTH-UHFFFAOYSA-N
XLogP0.24
TPSA63.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 50.24
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-methylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine?
The IUPAC name of 1,5-bis(2-methylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine (CID 54082982) is 1,5-bis(2-methylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine.
What is the SMILES notation for 1,5-bis(2-methylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine?
The canonical SMILES for 1,5-bis(2-methylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine is CC1CN(CCC(N)(CCN2CCOC(C)C2)CN2CCOCC2)CCO1.
What is the InChIKey of 1,5-bis(2-methylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine?
The InChIKey is MOKURLNSFYURTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4O3/c1-18-15-22(9-13-26-18)5-3-20(21,17-24-7-11-25-12-8-24)4-6-23-10-14-27-19(2)16-23/h18-19H,3-17,21H2,1-2H3.
What are the key properties of 1,5-bis(2-methylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine?
1,5-bis(2-methylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine has a molecular weight of 384.57 g/mol, XLogP of 0.24, 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-methylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine is sourced from PubChem (CID 54082982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).