3-(morpholin-4-ylmethyl)benzenecarboximidamide;dihydrochloride

C12H19Cl2N3O — CID 47002343

IUPAC3-(morpholin-4-ylmethyl)benzenecarboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C12H17N3O.2ClH/c13-12(14)11-3-1-2-10(8-11)9-15-4-6-16-7-5-15;;/h1-3,8H,4-7,9H2,(H3,13,14);2*1H
InChIKeyQYZNGEORQSZMEY-UHFFFAOYSA-N
MW292.21 g/mol
LogP1.65
Rot. Bonds3

About 3-(morpholin-4-ylmethyl)benzenecarboximidamide;dihydrochloride

3-(morpholin-4-ylmethyl)benzenecarboximidamide;dihydrochloride (PubChem CID 47002343) has the molecular formula C12H19Cl2N3O and a molecular weight of 292.21 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)benzenecarboximidamide;dihydrochloride.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)benzenecarboximidamide;dihydrochloride
PubChem CID47002343
Molecular FormulaC12H19Cl2N3O
Molecular Weight292.21 g/mol
Exact Mass291.09
IUPAC Name3-(morpholin-4-ylmethyl)benzenecarboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C12H17N3O.2ClH/c13-12(14)11-3-1-2-10(8-11)9-15-4-6-16-7-5-15;;/h1-3,8H,4-7,9H2,(H3,13,14);2*1H
InChIKeyQYZNGEORQSZMEY-UHFFFAOYSA-N
XLogP1.65
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-Morpholin-4-ylmethyl-benzylamine
CID 6484182
N'-hydroxy-3-(morpholin-4-ylmethyl)benzene-1-carboximidamide
CID 24694925
N'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide
CID 57368830
N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine
CID 7537524
{3-[(2-Methylmorpholin-4-yl)methyl]phenyl}methanamine
CID 16791420
[(Z)-[amino(m-tolyl)methylene]amino] morpholine-4-carboxylate
CID 9587468
4-(3-Methylbenzyl)morpholine
CID 783040
N'-hydroxy-3-(piperidin-1-ylmethyl)benzene-1-carboximidamide
CID 24698176
3-(Piperidin-1-ylmethyl)benzene-1-carboximidamide dihydrochloride
CID 45792547
N'-hydroxy-3-[(piperidin-1-yl)methyl]benzene-1-carboximidamide
CID 57368829
N-hydroxy-4-(morpholinomethyl)benzamidine
CID 16772099
N-butyl-1-morpholino-1-phenyl-methanimine
CID 391446

Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)benzenecarboximidamide;dihydrochloride?
The IUPAC name of 3-(morpholin-4-ylmethyl)benzenecarboximidamide;dihydrochloride (CID 47002343) is 3-(morpholin-4-ylmethyl)benzenecarboximidamide;dihydrochloride.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)benzenecarboximidamide;dihydrochloride?
The canonical SMILES for 3-(morpholin-4-ylmethyl)benzenecarboximidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)c1cccc(CN2CCOCC2)c1.
What is the InChIKey of 3-(morpholin-4-ylmethyl)benzenecarboximidamide;dihydrochloride?
The InChIKey is QYZNGEORQSZMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.2ClH/c13-12(14)11-3-1-2-10(8-11)9-15-4-6-16-7-5-15;;/h1-3,8H,4-7,9H2,(H3,13,14);2*1H.
What are the key properties of 3-(morpholin-4-ylmethyl)benzenecarboximidamide;dihydrochloride?
3-(morpholin-4-ylmethyl)benzenecarboximidamide;dihydrochloride has a molecular weight of 292.21 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)benzenecarboximidamide;dihydrochloride is sourced from PubChem (CID 47002343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).