N'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]methanimidamide

C11H23N3O — CID 90250601

IUPACN'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]methanimidamide
SMILESC/C=C\CCN(CC)CC(O)C/N=C/N
InChIInChI=1S/C11H23N3O/c1-3-5-6-7-14(4-2)9-11(15)8-13-10-12/h3,5,10-11,15H,4,6-9H2,1-2H3,(H2,12,13)/b5-3-
InChIKeyPXOAALLNJILKMA-HYXAFXHYSA-N
MW213.32 g/mol
LogP0.62
Rot. Bonds8

About N'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]methanimidamide

N'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]methanimidamide (PubChem CID 90250601) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]methanimidamide.

Molecular Properties

Compound NameN'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]methanimidamide
PubChem CID90250601
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]methanimidamide
SMILESC/C=C\CCN(CC)CC(O)C/N=C/N
InChIInChI=1S/C11H23N3O/c1-3-5-6-7-14(4-2)9-11(15)8-13-10-12/h3,5,10-11,15H,4,6-9H2,1-2H3,(H2,12,13)/b5-3-
InChIKeyPXOAALLNJILKMA-HYXAFXHYSA-N
XLogP0.62
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]methanimidamide?
The IUPAC name of N'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]methanimidamide (CID 90250601) is N'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]methanimidamide.
What is the SMILES notation for N'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]methanimidamide?
The canonical SMILES for N'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]methanimidamide is C/C=C\CCN(CC)CC(O)C/N=C/N.
What is the InChIKey of N'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]methanimidamide?
The InChIKey is PXOAALLNJILKMA-HYXAFXHYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-5-6-7-14(4-2)9-11(15)8-13-10-12/h3,5,10-11,15H,4,6-9H2,1-2H3,(H2,12,13)/b5-3-.
What are the key properties of N'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]methanimidamide?
N'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]methanimidamide has a molecular weight of 213.32 g/mol, XLogP of 0.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]methanimidamide is sourced from PubChem (CID 90250601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).