N'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]propanimidamide

C9H20N4O2 — CID 79071738

IUPACN'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]propanimidamide
SMILESCN1CCOC(CNCCC(N)=NO)C1
InChIInChI=1S/C9H20N4O2/c1-13-4-5-15-8(7-13)6-11-3-2-9(10)12-14/h8,11,14H,2-7H2,1H3,(H2,10,12)
InChIKeyBIIJIINDLLDHPW-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.96
Rot. Bonds5

About N'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]propanimidamide

N'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]propanimidamide (PubChem CID 79071738) has the molecular formula C9H20N4O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is N'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]propanimidamide
PubChem CID79071738
Molecular FormulaC9H20N4O2
Molecular Weight216.28 g/mol
Exact Mass216.16
IUPAC NameN'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]propanimidamide
SMILESCN1CCOC(CNCCC(N)=NO)C1
InChIInChI=1S/C9H20N4O2/c1-13-4-5-15-8(7-13)6-11-3-2-9(10)12-14/h8,11,14H,2-7H2,1H3,(H2,10,12)
InChIKeyBIIJIINDLLDHPW-UHFFFAOYSA-N
XLogP-0.96
TPSA83.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-4-[(4-methylmorpholin-2-yl)methylamino]butanimidamide
CID 79072308
3-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 78945349
3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid
CID 95328025
N'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]pentanimidamide
CID 79072307
3-chloro-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79181889
methyl 4-[(4-methylmorpholin-2-yl)methylamino]butanoate
CID 78967404
N-butan-2-yl-3-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 79172289
2-[2-[(4-methylmorpholin-2-yl)methylamino]ethoxy]ethanol
CID 78998731
1-amino-2-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 79071224
N-[(4-methylmorpholin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 79038222
N-[2-[(4-methylmorpholin-2-yl)methylamino]ethyl]methanesulfonamide
CID 78950380
1-(4-chlorocyclohexyl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine
CID 106123425

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]propanimidamide (CID 79071738) is N'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]propanimidamide is CN1CCOC(CNCCC(N)=NO)C1.
What is the InChIKey of N'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]propanimidamide?
The InChIKey is BIIJIINDLLDHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O2/c1-13-4-5-15-8(7-13)6-11-3-2-9(10)12-14/h8,11,14H,2-7H2,1H3,(H2,10,12).
What are the key properties of N'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]propanimidamide?
N'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]propanimidamide has a molecular weight of 216.28 g/mol, XLogP of -0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]propanimidamide is sourced from PubChem (CID 79071738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).