3-[methyl-[(4-methylmorpholin-2-yl)methyl]amino]benzenecarboximidamide

C14H22N4O — CID 79171067

IUPAC3-[methyl-[(4-methylmorpholin-2-yl)methyl]amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(N(C)CC2CN(C)CCO2)c1
InChIInChI=1S/C14H22N4O/c1-17-6-7-19-13(9-17)10-18(2)12-5-3-4-11(8-12)14(15)16/h3-5,8,13H,6-7,9-10H2,1-2H3,(H3,15,16)
InChIKeyLPKIQLKILBMZJG-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.74
Rot. Bonds4

About 3-[methyl-[(4-methylmorpholin-2-yl)methyl]amino]benzenecarboximidamide

3-[methyl-[(4-methylmorpholin-2-yl)methyl]amino]benzenecarboximidamide (PubChem CID 79171067) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-[methyl-[(4-methylmorpholin-2-yl)methyl]amino]benzenecarboximidamide.

Molecular Properties

Compound Name3-[methyl-[(4-methylmorpholin-2-yl)methyl]amino]benzenecarboximidamide
PubChem CID79171067
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-[methyl-[(4-methylmorpholin-2-yl)methyl]amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(N(C)CC2CN(C)CCO2)c1
InChIInChI=1S/C14H22N4O/c1-17-6-7-19-13(9-17)10-18(2)12-5-3-4-11(8-12)14(15)16/h3-5,8,13H,6-7,9-10H2,1-2H3,(H3,15,16)
InChIKeyLPKIQLKILBMZJG-UHFFFAOYSA-N
XLogP0.74
TPSA65.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine
CID 79171191
3-[[3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl-methylamino]benzoic acid
CID 19356312
4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 55152264
3-[methyl(propyl)amino]benzenecarboximidamide
CID 62970999
3-[2-fluoroethyl(methyl)amino]benzenecarboximidamide
CID 80696188
3-methyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 61432084
N'-[(4-methylmorpholin-2-yl)methyl]benzenecarboximidamide
CID 78932017
3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzenecarboximidamide
CID 63236274
3-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 62971177
3-[methyl(nonyl)amino]benzenecarboximidamide
CID 63525360
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 63236757
3-[(1,1-dioxothiolan-3-yl)-methylamino]benzenecarboximidamide
CID 55142333

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(4-methylmorpholin-2-yl)methyl]amino]benzenecarboximidamide?
The IUPAC name of 3-[methyl-[(4-methylmorpholin-2-yl)methyl]amino]benzenecarboximidamide (CID 79171067) is 3-[methyl-[(4-methylmorpholin-2-yl)methyl]amino]benzenecarboximidamide.
What is the SMILES notation for 3-[methyl-[(4-methylmorpholin-2-yl)methyl]amino]benzenecarboximidamide?
The canonical SMILES for 3-[methyl-[(4-methylmorpholin-2-yl)methyl]amino]benzenecarboximidamide is [H]/N=C(\N)c1cccc(N(C)CC2CN(C)CCO2)c1.
What is the InChIKey of 3-[methyl-[(4-methylmorpholin-2-yl)methyl]amino]benzenecarboximidamide?
The InChIKey is LPKIQLKILBMZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17-6-7-19-13(9-17)10-18(2)12-5-3-4-11(8-12)14(15)16/h3-5,8,13H,6-7,9-10H2,1-2H3,(H3,15,16).
What are the key properties of 3-[methyl-[(4-methylmorpholin-2-yl)methyl]amino]benzenecarboximidamide?
3-[methyl-[(4-methylmorpholin-2-yl)methyl]amino]benzenecarboximidamide has a molecular weight of 262.36 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(4-methylmorpholin-2-yl)methyl]amino]benzenecarboximidamide is sourced from PubChem (CID 79171067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).