6-morpholin-4-yl-4-N-(oxolan-2-ylmethyl)pyridine-3,4-diamine

C14H22N4O2 — CID 123312240

IUPAC6-morpholin-4-yl-4-N-(oxolan-2-ylmethyl)pyridine-3,4-diamine
SMILESNc1cnc(N2CCOCC2)cc1NCC1CCCO1
InChIInChI=1S/C14H22N4O2/c15-12-10-17-14(18-3-6-19-7-4-18)8-13(12)16-9-11-2-1-5-20-11/h8,10-11H,1-7,9,15H2,(H,16,17)
InChIKeySVBXYDKQCCQYIZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.09
Rot. Bonds4

About 6-morpholin-4-yl-4-N-(oxolan-2-ylmethyl)pyridine-3,4-diamine

6-morpholin-4-yl-4-N-(oxolan-2-ylmethyl)pyridine-3,4-diamine (PubChem CID 123312240) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-morpholin-4-yl-4-N-(oxolan-2-ylmethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name6-morpholin-4-yl-4-N-(oxolan-2-ylmethyl)pyridine-3,4-diamine
PubChem CID123312240
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name6-morpholin-4-yl-4-N-(oxolan-2-ylmethyl)pyridine-3,4-diamine
SMILESNc1cnc(N2CCOCC2)cc1NCC1CCCO1
InChIInChI=1S/C14H22N4O2/c15-12-10-17-14(18-3-6-19-7-4-18)8-13(12)16-9-11-2-1-5-20-11/h8,10-11H,1-7,9,15H2,(H,16,17)
InChIKeySVBXYDKQCCQYIZ-UHFFFAOYSA-N
XLogP1.09
TPSA72.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-4-N-(oxolan-2-ylmethyl)pyridine-3,4-diamine?
The IUPAC name of 6-morpholin-4-yl-4-N-(oxolan-2-ylmethyl)pyridine-3,4-diamine (CID 123312240) is 6-morpholin-4-yl-4-N-(oxolan-2-ylmethyl)pyridine-3,4-diamine.
What is the SMILES notation for 6-morpholin-4-yl-4-N-(oxolan-2-ylmethyl)pyridine-3,4-diamine?
The canonical SMILES for 6-morpholin-4-yl-4-N-(oxolan-2-ylmethyl)pyridine-3,4-diamine is Nc1cnc(N2CCOCC2)cc1NCC1CCCO1.
What is the InChIKey of 6-morpholin-4-yl-4-N-(oxolan-2-ylmethyl)pyridine-3,4-diamine?
The InChIKey is SVBXYDKQCCQYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c15-12-10-17-14(18-3-6-19-7-4-18)8-13(12)16-9-11-2-1-5-20-11/h8,10-11H,1-7,9,15H2,(H,16,17).
What are the key properties of 6-morpholin-4-yl-4-N-(oxolan-2-ylmethyl)pyridine-3,4-diamine?
6-morpholin-4-yl-4-N-(oxolan-2-ylmethyl)pyridine-3,4-diamine has a molecular weight of 278.36 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-4-N-(oxolan-2-ylmethyl)pyridine-3,4-diamine is sourced from PubChem (CID 123312240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).