N-[2-hydroxy-3-[[(Z)-pent-3-enyl]-propylamino]propyl]-N'-methylmethanimidamide

C13H27N3O — CID 90250349

IUPACN-[2-hydroxy-3-[[(Z)-pent-3-enyl]-propylamino]propyl]-N'-methylmethanimidamide
SMILESC/C=C\CCN(CCC)CC(O)CN/C=N/C
InChIInChI=1S/C13H27N3O/c1-4-6-7-9-16(8-5-2)11-13(17)10-15-12-14-3/h4,6,12-13,17H,5,7-11H2,1-3H3,(H,14,15)/b6-4-
InChIKeyZDUMFSXMDBQHHX-XQRVVYSFSA-N
MW241.38 g/mol
LogP1.27
Rot. Bonds10

About N-[2-hydroxy-3-[[(Z)-pent-3-enyl]-propylamino]propyl]-N'-methylmethanimidamide

N-[2-hydroxy-3-[[(Z)-pent-3-enyl]-propylamino]propyl]-N'-methylmethanimidamide (PubChem CID 90250349) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[2-hydroxy-3-[[(Z)-pent-3-enyl]-propylamino]propyl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[[(Z)-pent-3-enyl]-propylamino]propyl]-N'-methylmethanimidamide
PubChem CID90250349
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-[2-hydroxy-3-[[(Z)-pent-3-enyl]-propylamino]propyl]-N'-methylmethanimidamide
SMILESC/C=C\CCN(CCC)CC(O)CN/C=N/C
InChIInChI=1S/C13H27N3O/c1-4-6-7-9-16(8-5-2)11-13(17)10-15-12-14-3/h4,6,12-13,17H,5,7-11H2,1-3H3,(H,14,15)/b6-4-
InChIKeyZDUMFSXMDBQHHX-XQRVVYSFSA-N
XLogP1.27
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.27
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-[2-hydroxy-3-[[(Z)-pent-3-enyl]-propylamino]propyl]-N'-methylmethanimidamide?
The IUPAC name of N-[2-hydroxy-3-[[(Z)-pent-3-enyl]-propylamino]propyl]-N'-methylmethanimidamide (CID 90250349) is N-[2-hydroxy-3-[[(Z)-pent-3-enyl]-propylamino]propyl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[2-hydroxy-3-[[(Z)-pent-3-enyl]-propylamino]propyl]-N'-methylmethanimidamide?
The canonical SMILES for N-[2-hydroxy-3-[[(Z)-pent-3-enyl]-propylamino]propyl]-N'-methylmethanimidamide is C/C=C\CCN(CCC)CC(O)CN/C=N/C.
What is the InChIKey of N-[2-hydroxy-3-[[(Z)-pent-3-enyl]-propylamino]propyl]-N'-methylmethanimidamide?
The InChIKey is ZDUMFSXMDBQHHX-XQRVVYSFSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-6-7-9-16(8-5-2)11-13(17)10-15-12-14-3/h4,6,12-13,17H,5,7-11H2,1-3H3,(H,14,15)/b6-4-.
What are the key properties of N-[2-hydroxy-3-[[(Z)-pent-3-enyl]-propylamino]propyl]-N'-methylmethanimidamide?
N-[2-hydroxy-3-[[(Z)-pent-3-enyl]-propylamino]propyl]-N'-methylmethanimidamide has a molecular weight of 241.38 g/mol, XLogP of 1.27, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[[(Z)-pent-3-enyl]-propylamino]propyl]-N'-methylmethanimidamide is sourced from PubChem (CID 90250349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).