N'-hydroxy-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide

C10H23N5O — CID 83016658

IUPACN'-hydroxy-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide
SMILESCN1CCN(NCCCCC(N)=NO)CC1
InChIInChI=1S/C10H23N5O/c1-14-6-8-15(9-7-14)12-5-3-2-4-10(11)13-16/h12,16H,2-9H2,1H3,(H2,11,13)
InChIKeyMGTLXXPOMZTFHS-UHFFFAOYSA-N
MW229.33 g/mol
LogP-0.34
Rot. Bonds6

About N'-hydroxy-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide

N'-hydroxy-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide (PubChem CID 83016658) has the molecular formula C10H23N5O and a molecular weight of 229.33 g/mol. Its IUPAC name is N'-hydroxy-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide
PubChem CID83016658
Molecular FormulaC10H23N5O
Molecular Weight229.33 g/mol
Exact Mass229.19
IUPAC NameN'-hydroxy-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide
SMILESCN1CCN(NCCCCC(N)=NO)CC1
InChIInChI=1S/C10H23N5O/c1-14-6-8-15(9-7-14)12-5-3-2-4-10(11)13-16/h12,16H,2-9H2,1H3,(H2,11,13)
InChIKeyMGTLXXPOMZTFHS-UHFFFAOYSA-N
XLogP-0.34
TPSA77.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 5-0.34
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide (CID 83016658) is N'-hydroxy-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide is CN1CCN(NCCCCC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide?
The InChIKey is MGTLXXPOMZTFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5O/c1-14-6-8-15(9-7-14)12-5-3-2-4-10(11)13-16/h12,16H,2-9H2,1H3,(H2,11,13).
What are the key properties of N'-hydroxy-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide?
N'-hydroxy-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide has a molecular weight of 229.33 g/mol, XLogP of -0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide is sourced from PubChem (CID 83016658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).