3-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride

C14H28Cl2N4O — CID 126967380

IUPAC3-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride
SMILESCC(C)n1cc(CNCCCN2CCOCC2)cn1.Cl.Cl
InChIInChI=1S/C14H26N4O.2ClH/c1-13(2)18-12-14(11-16-18)10-15-4-3-5-17-6-8-19-9-7-17;;/h11-13,15H,3-10H2,1-2H3;2*1H
InChIKeyRFZMRSXEXFIRCT-UHFFFAOYSA-N
MW339.31 g/mol
LogP2.12
Rot. Bonds7

About 3-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride

3-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride (PubChem CID 126967380) has the molecular formula C14H28Cl2N4O and a molecular weight of 339.31 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride
PubChem CID126967380
Molecular FormulaC14H28Cl2N4O
Molecular Weight339.31 g/mol
Exact Mass338.16
IUPAC Name3-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride
SMILESCC(C)n1cc(CNCCCN2CCOCC2)cn1.Cl.Cl
InChIInChI=1S/C14H26N4O.2ClH/c1-13(2)18-12-14(11-16-18)10-15-4-3-5-17-6-8-19-9-7-17;;/h11-13,15H,3-10H2,1-2H3;2*1H
InChIKeyRFZMRSXEXFIRCT-UHFFFAOYSA-N
XLogP2.12
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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2-[(1-propan-2-ylpyrazol-4-yl)methylamino]ethanol;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride?
The IUPAC name of 3-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride (CID 126967380) is 3-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride.
What is the SMILES notation for 3-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride?
The canonical SMILES for 3-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride is CC(C)n1cc(CNCCCN2CCOCC2)cn1.Cl.Cl.
What is the InChIKey of 3-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride?
The InChIKey is RFZMRSXEXFIRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O.2ClH/c1-13(2)18-12-14(11-16-18)10-15-4-3-5-17-6-8-19-9-7-17;;/h11-13,15H,3-10H2,1-2H3;2*1H.
What are the key properties of 3-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride?
3-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride has a molecular weight of 339.31 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride is sourced from PubChem (CID 126967380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).