3-[4-[(3E)-3-amino-3-hydroxyiminopropyl]piperazin-1-yl]-N'-hydroxypropanimidamide

C10H22N6O2 — CID 87231403

IUPAC3-[4-[(3E)-3-amino-3-hydroxyiminopropyl]piperazin-1-yl]-N'-hydroxypropanimidamide
SMILESN/C(CCN1CCN(CC/C(N)=N\O)CC1)=N/O
InChIInChI=1S/C10H22N6O2/c11-9(13-17)1-3-15-5-7-16(8-6-15)4-2-10(12)14-18/h17-18H,1-8H2,(H2,11,13)(H2,12,14)
InChIKeyHTMXXPVHGQNVIG-UHFFFAOYSA-N
MW258.33 g/mol
LogP-1.12
Rot. Bonds6

About 3-[4-[(3E)-3-amino-3-hydroxyiminopropyl]piperazin-1-yl]-N'-hydroxypropanimidamide

3-[4-[(3E)-3-amino-3-hydroxyiminopropyl]piperazin-1-yl]-N'-hydroxypropanimidamide (PubChem CID 87231403) has the molecular formula C10H22N6O2 and a molecular weight of 258.33 g/mol. Its IUPAC name is 3-[4-[(3E)-3-amino-3-hydroxyiminopropyl]piperazin-1-yl]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[4-[(3E)-3-amino-3-hydroxyiminopropyl]piperazin-1-yl]-N'-hydroxypropanimidamide
PubChem CID87231403
Molecular FormulaC10H22N6O2
Molecular Weight258.33 g/mol
Exact Mass258.18
IUPAC Name3-[4-[(3E)-3-amino-3-hydroxyiminopropyl]piperazin-1-yl]-N'-hydroxypropanimidamide
SMILESN/C(CCN1CCN(CC/C(N)=N\O)CC1)=N/O
InChIInChI=1S/C10H22N6O2/c11-9(13-17)1-3-15-5-7-16(8-6-15)4-2-10(12)14-18/h17-18H,1-8H2,(H2,11,13)(H2,12,14)
InChIKeyHTMXXPVHGQNVIG-UHFFFAOYSA-N
XLogP-1.12
TPSA123.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 5-1.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 3-[4-[(3E)-3-amino-3-hydroxyiminopropyl]piperazin-1-yl]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[4-[(3E)-3-amino-3-hydroxyiminopropyl]piperazin-1-yl]-N'-hydroxypropanimidamide (CID 87231403) is 3-[4-[(3E)-3-amino-3-hydroxyiminopropyl]piperazin-1-yl]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[4-[(3E)-3-amino-3-hydroxyiminopropyl]piperazin-1-yl]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[4-[(3E)-3-amino-3-hydroxyiminopropyl]piperazin-1-yl]-N'-hydroxypropanimidamide is N/C(CCN1CCN(CC/C(N)=N\O)CC1)=N/O.
What is the InChIKey of 3-[4-[(3E)-3-amino-3-hydroxyiminopropyl]piperazin-1-yl]-N'-hydroxypropanimidamide?
The InChIKey is HTMXXPVHGQNVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N6O2/c11-9(13-17)1-3-15-5-7-16(8-6-15)4-2-10(12)14-18/h17-18H,1-8H2,(H2,11,13)(H2,12,14).
What are the key properties of 3-[4-[(3E)-3-amino-3-hydroxyiminopropyl]piperazin-1-yl]-N'-hydroxypropanimidamide?
3-[4-[(3E)-3-amino-3-hydroxyiminopropyl]piperazin-1-yl]-N'-hydroxypropanimidamide has a molecular weight of 258.33 g/mol, XLogP of -1.12, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3E)-3-amino-3-hydroxyiminopropyl]piperazin-1-yl]-N'-hydroxypropanimidamide is sourced from PubChem (CID 87231403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).