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

C14H28Cl2N4O — CID 126967833

IUPAC3-morpholin-4-yl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine;dihydrochloride
SMILESCC(C)n1nccc1CNCCCN1CCOCC1.Cl.Cl
InChIInChI=1S/C14H26N4O.2ClH/c1-13(2)18-14(4-6-16-18)12-15-5-3-7-17-8-10-19-11-9-17;;/h4,6,13,15H,3,5,7-12H2,1-2H3;2*1H
InChIKeyFEEBXZIKXAQGCU-UHFFFAOYSA-N
MW339.31 g/mol
LogP2.12
Rot. Bonds7

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

3-morpholin-4-yl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine;dihydrochloride (PubChem CID 126967833) has the molecular formula C14H28Cl2N4O and a molecular weight of 339.31 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine;dihydrochloride
PubChem CID126967833
Molecular FormulaC14H28Cl2N4O
Molecular Weight339.31 g/mol
Exact Mass338.16
IUPAC Name3-morpholin-4-yl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine;dihydrochloride
SMILESCC(C)n1nccc1CNCCCN1CCOCC1.Cl.Cl
InChIInChI=1S/C14H26N4O.2ClH/c1-13(2)18-14(4-6-16-18)12-15-5-3-7-17-8-10-19-11-9-17;;/h4,6,13,15H,3,5,7-12H2,1-2H3;2*1H
InChIKeyFEEBXZIKXAQGCU-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

3-morpholin-4-yl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine
CID 122166014
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 126964517
N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 126965875
N-[(2-butan-2-ylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 126964926
N-[(2-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine;hydrochloride
CID 126967489
N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 126967056
3-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride
CID 126967380
2-[(2-propan-2-ylpyrazol-3-yl)methylamino]ethanol
CID 122165994
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
4-[(2-propan-2-ylpyrazol-3-yl)methylamino]butanoic acid
CID 170356656
N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62997683
N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 122166171

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine;dihydrochloride?
The IUPAC name of 3-morpholin-4-yl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine;dihydrochloride (CID 126967833) is 3-morpholin-4-yl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine;dihydrochloride.
What is the SMILES notation for 3-morpholin-4-yl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine;dihydrochloride?
The canonical SMILES for 3-morpholin-4-yl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine;dihydrochloride is CC(C)n1nccc1CNCCCN1CCOCC1.Cl.Cl.
What is the InChIKey of 3-morpholin-4-yl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine;dihydrochloride?
The InChIKey is FEEBXZIKXAQGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O.2ClH/c1-13(2)18-14(4-6-16-18)12-15-5-3-7-17-8-10-19-11-9-17;;/h4,6,13,15H,3,5,7-12H2,1-2H3;2*1H.
What are the key properties of 3-morpholin-4-yl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine;dihydrochloride?
3-morpholin-4-yl-N-[(2-propan-2-ylpyrazol-3-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-[(2-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine;dihydrochloride is sourced from PubChem (CID 126967833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).