N'-hydroxy-2-(3-morpholin-4-ylpropylamino)butanimidamide

C11H24N4O2 — CID 77028984

IUPACN'-hydroxy-2-(3-morpholin-4-ylpropylamino)butanimidamide
SMILESCCC(NCCCN1CCOCC1)C(N)=NO
InChIInChI=1S/C11H24N4O2/c1-2-10(11(12)14-16)13-4-3-5-15-6-8-17-9-7-15/h10,13,16H,2-9H2,1H3,(H2,12,14)
InChIKeyNMZURRMTFXBIFJ-UHFFFAOYSA-N
MW244.34 g/mol
LogP-0.18
Rot. Bonds7

About N'-hydroxy-2-(3-morpholin-4-ylpropylamino)butanimidamide

N'-hydroxy-2-(3-morpholin-4-ylpropylamino)butanimidamide (PubChem CID 77028984) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is N'-hydroxy-2-(3-morpholin-4-ylpropylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(3-morpholin-4-ylpropylamino)butanimidamide
PubChem CID77028984
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC NameN'-hydroxy-2-(3-morpholin-4-ylpropylamino)butanimidamide
SMILESCCC(NCCCN1CCOCC1)C(N)=NO
InChIInChI=1S/C11H24N4O2/c1-2-10(11(12)14-16)13-4-3-5-15-6-8-17-9-7-15/h10,13,16H,2-9H2,1H3,(H2,12,14)
InChIKeyNMZURRMTFXBIFJ-UHFFFAOYSA-N
XLogP-0.18
TPSA83.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
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': '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

2-(N'-hydroxycarbamimidoyl)-N-(3-morpholin-4-ylpropyl)pentanamide
CID 76925048
1-(4-aminophenyl)-2-(3-morpholin-4-ylpropylamino)butan-1-one
CID 82258130
ethyl 2-(3-morpholin-4-ylpropylamino)pentanoate
CID 83038145
2-(N'-hydroxycarbamimidoyl)-N-(2-morpholin-4-ylethyl)butanamide
CID 76926499
N'-hydroxy-2-[(5-hydroxy-4-methylpentyl)amino]butanimidamide
CID 106161753
1-morpholin-4-yl-N-(3-pyrrolidin-1-ylpropyl)propan-2-amine
CID 54965105
tert-butyl 2-(3-morpholin-4-ylpropylamino)propanoate
CID 66336839
methyl 2-methyl-3-(3-morpholin-4-ylpropylamino)butanoate
CID 79392477
2-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111041688
N-methyl-2-(3-morpholin-4-ylpropylamino)propanamide
CID 43236781
N'-hydroxy-2-[4-[methyl(propan-2-yl)amino]butylamino]butanimidamide
CID 77031129
ethane;N-ethyl-3-morpholin-4-ylpropan-1-amine
CID 170595450

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(3-morpholin-4-ylpropylamino)butanimidamide?
The IUPAC name of N'-hydroxy-2-(3-morpholin-4-ylpropylamino)butanimidamide (CID 77028984) is N'-hydroxy-2-(3-morpholin-4-ylpropylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-2-(3-morpholin-4-ylpropylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-2-(3-morpholin-4-ylpropylamino)butanimidamide is CCC(NCCCN1CCOCC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(3-morpholin-4-ylpropylamino)butanimidamide?
The InChIKey is NMZURRMTFXBIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-2-10(11(12)14-16)13-4-3-5-15-6-8-17-9-7-15/h10,13,16H,2-9H2,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-2-(3-morpholin-4-ylpropylamino)butanimidamide?
N'-hydroxy-2-(3-morpholin-4-ylpropylamino)butanimidamide has a molecular weight of 244.34 g/mol, XLogP of -0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(3-morpholin-4-ylpropylamino)butanimidamide is sourced from PubChem (CID 77028984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).