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

C14H28Cl2N4O — CID 126966477

IUPAC3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride
SMILESCCCn1cc(CNCCCN2CCOCC2)cn1.Cl.Cl
InChIInChI=1S/C14H26N4O.2ClH/c1-2-5-18-13-14(12-16-18)11-15-4-3-6-17-7-9-19-10-8-17;;/h12-13,15H,2-11H2,1H3;2*1H
InChIKeyNMTPOTJWEWHMFS-UHFFFAOYSA-N
MW339.31 g/mol
LogP1.95
Rot. Bonds8

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

3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride (PubChem CID 126966477) has the molecular formula C14H28Cl2N4O and a molecular weight of 339.31 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride
PubChem CID126966477
Molecular FormulaC14H28Cl2N4O
Molecular Weight339.31 g/mol
Exact Mass338.16
IUPAC Name3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride
SMILESCCCn1cc(CNCCCN2CCOCC2)cn1.Cl.Cl
InChIInChI=1S/C14H26N4O.2ClH/c1-2-5-18-13-14(12-16-18)11-15-4-3-6-17-7-9-19-10-8-17;;/h12-13,15H,2-11H2,1H3;2*1H
InChIKeyNMTPOTJWEWHMFS-UHFFFAOYSA-N
XLogP1.95
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 51.95
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-[(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 103673638
N-[(1-ethylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62126706
3-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride
CID 126967380
N-[(1-ethenylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 106935533
N-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 126963907
N-[(1-cyclopentylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 122166276
3-methoxy-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 126966218
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
N',N'-diethyl-N-[(1-propylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 103673607
N-[(1-propylpyrazol-4-yl)methyl]pent-4-yn-1-amine
CID 103701847
4-[(1-propylpyrazol-4-yl)methylamino]butanamide
CID 103571480
(E)-N-[(1-propylpyrazol-4-yl)methyl]pent-3-en-1-amine
CID 115632420

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride?
The IUPAC name of 3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride (CID 126966477) is 3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride.
What is the SMILES notation for 3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride?
The canonical SMILES for 3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride is CCCn1cc(CNCCCN2CCOCC2)cn1.Cl.Cl.
What is the InChIKey of 3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride?
The InChIKey is NMTPOTJWEWHMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O.2ClH/c1-2-5-18-13-14(12-16-18)11-15-4-3-6-17-7-9-19-10-8-17;;/h12-13,15H,2-11H2,1H3;2*1H.
What are the key properties of 3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride?
3-morpholin-4-yl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride has a molecular weight of 339.31 g/mol, XLogP of 1.95, 8 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-propylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride is sourced from PubChem (CID 126966477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).