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

C11H24N4O2 — CID 79072307

IUPACN'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]pentanimidamide
SMILESCCC(CC(N)=NO)NCC1CN(C)CCO1
InChIInChI=1S/C11H24N4O2/c1-3-9(6-11(12)14-16)13-7-10-8-15(2)4-5-17-10/h9-10,13,16H,3-8H2,1-2H3,(H2,12,14)
InChIKeySOCZECYCQXAWON-UHFFFAOYSA-N
MW244.34 g/mol
LogP-0.18
Rot. Bonds6

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

N'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]pentanimidamide (PubChem CID 79072307) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is N'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]pentanimidamide
PubChem CID79072307
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC NameN'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]pentanimidamide
SMILESCCC(CC(N)=NO)NCC1CN(C)CCO1
InChIInChI=1S/C11H24N4O2/c1-3-9(6-11(12)14-16)13-7-10-8-15(2)4-5-17-10/h9-10,13,16H,3-8H2,1-2H3,(H2,12,14)
InChIKeySOCZECYCQXAWON-UHFFFAOYSA-N
XLogP-0.18
TPSA83.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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
N'-hydroxy-4-[(4-methylmorpholin-2-yl)methylamino]butanimidamide
CID 79072308
N'-hydroxy-3-(oxolan-3-ylmethylamino)pentanimidamide
CID 77032695
2-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 78945177
N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 96645037
3-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-2-amine
CID 75356168
(1S)-1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]ethanamine
CID 97045036
2-[(4-methylmorpholin-2-yl)methylamino]propan-1-ol
CID 78945058
2-[(4-methylmorpholin-2-yl)methylamino]-N-pentan-3-ylacetamide
CID 78945150
2-[(4-methylmorpholin-2-yl)methylamino]propanoic acid
CID 78967405
(2S)-4-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pentan-2-amine
CID 97045041
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-2-amine
CID 75356159

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]pentanimidamide (CID 79072307) is N'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]pentanimidamide is CCC(CC(N)=NO)NCC1CN(C)CCO1.
What is the InChIKey of N'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]pentanimidamide?
The InChIKey is SOCZECYCQXAWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-3-9(6-11(12)14-16)13-7-10-8-15(2)4-5-17-10/h9-10,13,16H,3-8H2,1-2H3,(H2,12,14).
What are the key properties of N'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]pentanimidamide?
N'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]pentanimidamide has a molecular weight of 244.34 g/mol, XLogP of -0.18, 6 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]pentanimidamide is sourced from PubChem (CID 79072307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).