N'-hydroxy-5-[2-(1-methylpiperidin-4-yl)ethylamino]pentanimidamide

C13H28N4O — CID 104931982

IUPACN'-hydroxy-5-[2-(1-methylpiperidin-4-yl)ethylamino]pentanimidamide
SMILESCN1CCC(CCNCCCCC(N)=NO)CC1
InChIInChI=1S/C13H28N4O/c1-17-10-6-12(7-11-17)5-9-15-8-3-2-4-13(14)16-18/h12,15,18H,2-11H2,1H3,(H2,14,16)
InChIKeyZJSVIXDIMVEJEB-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.22
Rot. Bonds8

About N'-hydroxy-5-[2-(1-methylpiperidin-4-yl)ethylamino]pentanimidamide

N'-hydroxy-5-[2-(1-methylpiperidin-4-yl)ethylamino]pentanimidamide (PubChem CID 104931982) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is N'-hydroxy-5-[2-(1-methylpiperidin-4-yl)ethylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[2-(1-methylpiperidin-4-yl)ethylamino]pentanimidamide
PubChem CID104931982
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC NameN'-hydroxy-5-[2-(1-methylpiperidin-4-yl)ethylamino]pentanimidamide
SMILESCN1CCC(CCNCCCCC(N)=NO)CC1
InChIInChI=1S/C13H28N4O/c1-17-10-6-12(7-11-17)5-9-15-8-3-2-4-13(14)16-18/h12,15,18H,2-11H2,1H3,(H2,14,16)
InChIKeyZJSVIXDIMVEJEB-UHFFFAOYSA-N
XLogP1.22
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.22
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

5-(2-cyclopropylethylamino)-N'-hydroxypentanimidamide
CID 77072404
N'-hydroxy-2-[1-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]cyclopropyl]ethanimidamide
CID 104931979
4-(3-cyclopropylpropylamino)-N'-hydroxybutanimidamide
CID 104876518
N'-hydroxy-4-[(1-methylpiperidin-3-yl)methylamino]butanimidamide
CID 77032158
N'-hydroxy-5-[(4-propylcyclohexyl)amino]pentanimidamide
CID 77031441
[2-(1-methylpiperidin-4-yl)ethylamino]methanol
CID 115229407
N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 114515255
N'-hydroxy-3-(4-propylpiperidin-1-yl)propanimidamide
CID 76937108
N-[2-(1-methylpiperidin-4-yl)ethyl]pent-4-yn-1-amine
CID 114515637
2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanethiol
CID 115224308
N'-hydroxy-5-(3-hydroxypropylamino)pentanimidamide
CID 77028808
N'-hydroxy-5-[(3-hydroxycyclopentyl)methylamino]pentanimidamide
CID 106136308

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[2-(1-methylpiperidin-4-yl)ethylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[2-(1-methylpiperidin-4-yl)ethylamino]pentanimidamide (CID 104931982) is N'-hydroxy-5-[2-(1-methylpiperidin-4-yl)ethylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[2-(1-methylpiperidin-4-yl)ethylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[2-(1-methylpiperidin-4-yl)ethylamino]pentanimidamide is CN1CCC(CCNCCCCC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-5-[2-(1-methylpiperidin-4-yl)ethylamino]pentanimidamide?
The InChIKey is ZJSVIXDIMVEJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-17-10-6-12(7-11-17)5-9-15-8-3-2-4-13(14)16-18/h12,15,18H,2-11H2,1H3,(H2,14,16).
What are the key properties of N'-hydroxy-5-[2-(1-methylpiperidin-4-yl)ethylamino]pentanimidamide?
N'-hydroxy-5-[2-(1-methylpiperidin-4-yl)ethylamino]pentanimidamide has a molecular weight of 256.39 g/mol, XLogP of 1.22, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[2-(1-methylpiperidin-4-yl)ethylamino]pentanimidamide is sourced from PubChem (CID 104931982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).