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

C10H22N4O2 — CID 79072308

IUPACN'-hydroxy-4-[(4-methylmorpholin-2-yl)methylamino]butanimidamide
SMILESCN1CCOC(CNCCCC(N)=NO)C1
InChIInChI=1S/C10H22N4O2/c1-14-5-6-16-9(8-14)7-12-4-2-3-10(11)13-15/h9,12,15H,2-8H2,1H3,(H2,11,13)
InChIKeyYTZVLQHLAOWLNU-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.57
Rot. Bonds6

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

N'-hydroxy-4-[(4-methylmorpholin-2-yl)methylamino]butanimidamide (PubChem CID 79072308) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is N'-hydroxy-4-[(4-methylmorpholin-2-yl)methylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(4-methylmorpholin-2-yl)methylamino]butanimidamide
PubChem CID79072308
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC NameN'-hydroxy-4-[(4-methylmorpholin-2-yl)methylamino]butanimidamide
SMILESCN1CCOC(CNCCCC(N)=NO)C1
InChIInChI=1S/C10H22N4O2/c1-14-5-6-16-9(8-14)7-12-4-2-3-10(11)13-15/h9,12,15H,2-8H2,1H3,(H2,11,13)
InChIKeyYTZVLQHLAOWLNU-UHFFFAOYSA-N
XLogP-0.57
TPSA83.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.57
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-3-[(4-methylmorpholin-2-yl)methylamino]propanimidamide
CID 79071738
3-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 78945349
methyl 4-[(4-methylmorpholin-2-yl)methylamino]butanoate
CID 78967404
N'-hydroxy-4-[(1-methylpiperidin-3-yl)methylamino]butanimidamide
CID 77032158
3-chloro-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79181889
3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid
CID 95328025
N-[(4-methylmorpholin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 79038222
N'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]pentanimidamide
CID 79072307
N'-cyclopropyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 79172100
2-[2-[(4-methylmorpholin-2-yl)methylamino]ethoxy]ethanol
CID 78998731
N-[(4-methylmorpholin-2-yl)methyl]-3-phenylpropan-1-amine
CID 78945255
N-[2-[(4-methylmorpholin-2-yl)methylamino]ethyl]methanesulfonamide
CID 78950380

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(4-methylmorpholin-2-yl)methylamino]butanimidamide?
The IUPAC name of N'-hydroxy-4-[(4-methylmorpholin-2-yl)methylamino]butanimidamide (CID 79072308) is N'-hydroxy-4-[(4-methylmorpholin-2-yl)methylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[(4-methylmorpholin-2-yl)methylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[(4-methylmorpholin-2-yl)methylamino]butanimidamide is CN1CCOC(CNCCCC(N)=NO)C1.
What is the InChIKey of N'-hydroxy-4-[(4-methylmorpholin-2-yl)methylamino]butanimidamide?
The InChIKey is YTZVLQHLAOWLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-14-5-6-16-9(8-14)7-12-4-2-3-10(11)13-15/h9,12,15H,2-8H2,1H3,(H2,11,13).
What are the key properties of N'-hydroxy-4-[(4-methylmorpholin-2-yl)methylamino]butanimidamide?
N'-hydroxy-4-[(4-methylmorpholin-2-yl)methylamino]butanimidamide has a molecular weight of 230.31 g/mol, XLogP of -0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(4-methylmorpholin-2-yl)methylamino]butanimidamide is sourced from PubChem (CID 79072308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).