N'-hydroxy-2-(2-piperidin-1-ylethylamino)ethanimidamide

C9H20N4O — CID 77031116

IUPACN'-hydroxy-2-(2-piperidin-1-ylethylamino)ethanimidamide
SMILESNC(CNCCN1CCCCC1)=NO
InChIInChI=1S/C9H20N4O/c10-9(12-14)8-11-4-7-13-5-2-1-3-6-13/h11,14H,1-8H2,(H2,10,12)
InChIKeyIUERGVGECWZCKM-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.19
Rot. Bonds5

About N'-hydroxy-2-(2-piperidin-1-ylethylamino)ethanimidamide

N'-hydroxy-2-(2-piperidin-1-ylethylamino)ethanimidamide (PubChem CID 77031116) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is N'-hydroxy-2-(2-piperidin-1-ylethylamino)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-piperidin-1-ylethylamino)ethanimidamide
PubChem CID77031116
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC NameN'-hydroxy-2-(2-piperidin-1-ylethylamino)ethanimidamide
SMILESNC(CNCCN1CCCCC1)=NO
InChIInChI=1S/C9H20N4O/c10-9(12-14)8-11-4-7-13-5-2-1-3-6-13/h11,14H,1-8H2,(H2,10,12)
InChIKeyIUERGVGECWZCKM-UHFFFAOYSA-N
XLogP-0.19
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.19
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

2-(2-piperidin-1-ylethylamino)acetamide
CID 60695664
2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60673194
3-(azepan-1-yl)-N'-hydroxypropanimidamide;dihydrochloride
CID 131877680
3-amino-3-hydroxyimino-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 76947376
4-(azocan-1-yl)-N'-hydroxybutanimidamide
CID 43211911
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
N'-hydroxy-5-piperidin-1-ylpentanimidamide
CID 6015018
N'-[2-(azepan-1-yl)ethyl]ethane-1,2-diamine;trihydrochloride
CID 119031355
N'-hydroxy-2-(propylamino)ethanimidamide
CID 60711995
3-(2-piperidin-1-ylethylamino)propan-1-ol
CID 53211307
2-fluoro-N'-hydroxy-3-[(2-pyrrolidin-1-ylethylamino)methyl]benzenecarboximidamide
CID 107116916
N-[(2-methyltetrazol-5-yl)methyl]-2-piperidin-1-ylethanamine
CID 107042293

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-piperidin-1-ylethylamino)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(2-piperidin-1-ylethylamino)ethanimidamide (CID 77031116) is N'-hydroxy-2-(2-piperidin-1-ylethylamino)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(2-piperidin-1-ylethylamino)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(2-piperidin-1-ylethylamino)ethanimidamide is NC(CNCCN1CCCCC1)=NO.
What is the InChIKey of N'-hydroxy-2-(2-piperidin-1-ylethylamino)ethanimidamide?
The InChIKey is IUERGVGECWZCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c10-9(12-14)8-11-4-7-13-5-2-1-3-6-13/h11,14H,1-8H2,(H2,10,12).
What are the key properties of N'-hydroxy-2-(2-piperidin-1-ylethylamino)ethanimidamide?
N'-hydroxy-2-(2-piperidin-1-ylethylamino)ethanimidamide has a molecular weight of 200.29 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-piperidin-1-ylethylamino)ethanimidamide is sourced from PubChem (CID 77031116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).