N'-hydroxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propanimidamide

C11H24N4O — CID 77031683

IUPACN'-hydroxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propanimidamide
SMILESCC(CNCCC(N)=NO)CN1CCCC1
InChIInChI=1S/C11H24N4O/c1-10(9-15-6-2-3-7-15)8-13-5-4-11(12)14-16/h10,13,16H,2-9H2,1H3,(H2,12,14)
InChIKeyKAZWAMGMDPNLIB-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.44
Rot. Bonds7

About N'-hydroxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propanimidamide

N'-hydroxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propanimidamide (PubChem CID 77031683) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is N'-hydroxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propanimidamide
PubChem CID77031683
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC NameN'-hydroxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propanimidamide
SMILESCC(CNCCC(N)=NO)CN1CCCC1
InChIInChI=1S/C11H24N4O/c1-10(9-15-6-2-3-7-15)8-13-5-4-11(12)14-16/h10,13,16H,2-9H2,1H3,(H2,12,14)
InChIKeyKAZWAMGMDPNLIB-UHFFFAOYSA-N
XLogP0.44
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-5-(1-piperidin-1-ylpropan-2-ylamino)pentanimidamide
CID 77030734
2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 107911598
N-butyl-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 60957473
(2R)-1-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol
CID 106932098
1-(N'-hydroxycarbamimidoyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide
CID 80596756
N-(2-methyl-3-piperidin-1-ylpropyl)octan-1-amine
CID 55191409
N'-hydroxy-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanimidamide
CID 77030857
2-methyl-1-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 75418876
N'-hydroxy-5-(2-methylbutylamino)pentanimidamide
CID 77027184
N'-hydroxy-2-methyl-3-pyrrolidin-1-ylpropanimidamide
CID 43367727
N-(2-methyl-3-pyrrolidin-1-ylpropyl)formamide
CID 64992591
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propanimidamide (CID 77031683) is N'-hydroxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propanimidamide is CC(CNCCC(N)=NO)CN1CCCC1.
What is the InChIKey of N'-hydroxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propanimidamide?
The InChIKey is KAZWAMGMDPNLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-10(9-15-6-2-3-7-15)8-13-5-4-11(12)14-16/h10,13,16H,2-9H2,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propanimidamide?
N'-hydroxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propanimidamide has a molecular weight of 228.34 g/mol, XLogP of 0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propanimidamide is sourced from PubChem (CID 77031683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).