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

C18H36N4O3 — CID 130303687

IUPAC1,5-dimorpholin-4-yl-3-(morpholin-4-ylmethyl)pentan-2-amine
SMILESNC(CN1CCOCC1)C(CCN1CCOCC1)CN1CCOCC1
InChIInChI=1S/C18H36N4O3/c19-18(16-22-7-13-25-14-8-22)17(15-21-5-11-24-12-6-21)1-2-20-3-9-23-10-4-20/h17-18H,1-16,19H2
InChIKeyOKHDYCRLNJTACF-UHFFFAOYSA-N
MW356.51 g/mol
LogP-0.68
Rot. Bonds8

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

1,5-dimorpholin-4-yl-3-(morpholin-4-ylmethyl)pentan-2-amine (PubChem CID 130303687) has the molecular formula C18H36N4O3 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1,5-dimorpholin-4-yl-3-(morpholin-4-ylmethyl)pentan-2-amine.

Molecular Properties

Compound Name1,5-dimorpholin-4-yl-3-(morpholin-4-ylmethyl)pentan-2-amine
PubChem CID130303687
Molecular FormulaC18H36N4O3
Molecular Weight356.51 g/mol
Exact Mass356.28
IUPAC Name1,5-dimorpholin-4-yl-3-(morpholin-4-ylmethyl)pentan-2-amine
SMILESNC(CN1CCOCC1)C(CCN1CCOCC1)CN1CCOCC1
InChIInChI=1S/C18H36N4O3/c19-18(16-22-7-13-25-14-8-22)17(15-21-5-11-24-12-6-21)1-2-20-3-9-23-10-4-20/h17-18H,1-16,19H2
InChIKeyOKHDYCRLNJTACF-UHFFFAOYSA-N
XLogP-0.68
TPSA63.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimorpholin-4-yl-3-(morpholin-4-ylmethyl)pentan-2-amine?
The IUPAC name of 1,5-dimorpholin-4-yl-3-(morpholin-4-ylmethyl)pentan-2-amine (CID 130303687) is 1,5-dimorpholin-4-yl-3-(morpholin-4-ylmethyl)pentan-2-amine.
What is the SMILES notation for 1,5-dimorpholin-4-yl-3-(morpholin-4-ylmethyl)pentan-2-amine?
The canonical SMILES for 1,5-dimorpholin-4-yl-3-(morpholin-4-ylmethyl)pentan-2-amine is NC(CN1CCOCC1)C(CCN1CCOCC1)CN1CCOCC1.
What is the InChIKey of 1,5-dimorpholin-4-yl-3-(morpholin-4-ylmethyl)pentan-2-amine?
The InChIKey is OKHDYCRLNJTACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O3/c19-18(16-22-7-13-25-14-8-22)17(15-21-5-11-24-12-6-21)1-2-20-3-9-23-10-4-20/h17-18H,1-16,19H2.
What are the key properties of 1,5-dimorpholin-4-yl-3-(morpholin-4-ylmethyl)pentan-2-amine?
1,5-dimorpholin-4-yl-3-(morpholin-4-ylmethyl)pentan-2-amine has a molecular weight of 356.51 g/mol, XLogP of -0.68, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimorpholin-4-yl-3-(morpholin-4-ylmethyl)pentan-2-amine is sourced from PubChem (CID 130303687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).