4-N-(2-morpholin-4-ylethyl)pyridine-3,4-diamine;dihydrochloride

C11H20Cl2N4O — CID 47002688

IUPAC4-N-(2-morpholin-4-ylethyl)pyridine-3,4-diamine;dihydrochloride
SMILESCl.Cl.Nc1cnccc1NCCN1CCOCC1
InChIInChI=1S/C11H18N4O.2ClH/c12-10-9-13-2-1-11(10)14-3-4-15-5-7-16-8-6-15;;/h1-2,9H,3-8,12H2,(H,13,14);2*1H
InChIKeyIYTYHVNVEBMTCN-UHFFFAOYSA-N
MW295.21 g/mol
LogP1.25
Rot. Bonds4

About 4-N-(2-morpholin-4-ylethyl)pyridine-3,4-diamine;dihydrochloride

4-N-(2-morpholin-4-ylethyl)pyridine-3,4-diamine;dihydrochloride (PubChem CID 47002688) has the molecular formula C11H20Cl2N4O and a molecular weight of 295.21 g/mol. Its IUPAC name is 4-N-(2-morpholin-4-ylethyl)pyridine-3,4-diamine;dihydrochloride.

Molecular Properties

Compound Name4-N-(2-morpholin-4-ylethyl)pyridine-3,4-diamine;dihydrochloride
PubChem CID47002688
Molecular FormulaC11H20Cl2N4O
Molecular Weight295.21 g/mol
Exact Mass294.10
IUPAC Name4-N-(2-morpholin-4-ylethyl)pyridine-3,4-diamine;dihydrochloride
SMILESCl.Cl.Nc1cnccc1NCCN1CCOCC1
InChIInChI=1S/C11H18N4O.2ClH/c12-10-9-13-2-1-11(10)14-3-4-15-5-7-16-8-6-15;;/h1-2,9H,3-8,12H2,(H,13,14);2*1H
InChIKeyIYTYHVNVEBMTCN-UHFFFAOYSA-N
XLogP1.25
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-morpholin-4-ylethyl)pyridine-3,4-diamine;dihydrochloride?
The IUPAC name of 4-N-(2-morpholin-4-ylethyl)pyridine-3,4-diamine;dihydrochloride (CID 47002688) is 4-N-(2-morpholin-4-ylethyl)pyridine-3,4-diamine;dihydrochloride.
What is the SMILES notation for 4-N-(2-morpholin-4-ylethyl)pyridine-3,4-diamine;dihydrochloride?
The canonical SMILES for 4-N-(2-morpholin-4-ylethyl)pyridine-3,4-diamine;dihydrochloride is Cl.Cl.Nc1cnccc1NCCN1CCOCC1.
What is the InChIKey of 4-N-(2-morpholin-4-ylethyl)pyridine-3,4-diamine;dihydrochloride?
The InChIKey is IYTYHVNVEBMTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O.2ClH/c12-10-9-13-2-1-11(10)14-3-4-15-5-7-16-8-6-15;;/h1-2,9H,3-8,12H2,(H,13,14);2*1H.
What are the key properties of 4-N-(2-morpholin-4-ylethyl)pyridine-3,4-diamine;dihydrochloride?
4-N-(2-morpholin-4-ylethyl)pyridine-3,4-diamine;dihydrochloride has a molecular weight of 295.21 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-morpholin-4-ylethyl)pyridine-3,4-diamine;dihydrochloride is sourced from PubChem (CID 47002688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).