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

C13H27N3O — CID 90248277

IUPACN-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]-N'-methylethanimidamide
SMILESC/C=C\CCN(CC)CC(O)CN/C(C)=N/C
InChIInChI=1S/C13H27N3O/c1-5-7-8-9-16(6-2)11-13(17)10-15-12(3)14-4/h5,7,13,17H,6,8-11H2,1-4H3,(H,14,15)/b7-5-
InChIKeyYAGOLXVAUBESFV-ALCCZGGFSA-N
MW241.38 g/mol
LogP1.27
Rot. Bonds8

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

N-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]-N'-methylethanimidamide (PubChem CID 90248277) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]-N'-methylethanimidamide
PubChem CID90248277
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]-N'-methylethanimidamide
SMILESC/C=C\CCN(CC)CC(O)CN/C(C)=N/C
InChIInChI=1S/C13H27N3O/c1-5-7-8-9-16(6-2)11-13(17)10-15-12(3)14-4/h5,7,13,17H,6,8-11H2,1-4H3,(H,14,15)/b7-5-
InChIKeyYAGOLXVAUBESFV-ALCCZGGFSA-N
XLogP1.27
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]-N'-methylethanimidamide?
The IUPAC name of N-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]-N'-methylethanimidamide (CID 90248277) is N-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]-N'-methylethanimidamide.
What is the SMILES notation for N-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]-N'-methylethanimidamide?
The canonical SMILES for N-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]-N'-methylethanimidamide is C/C=C\CCN(CC)CC(O)CN/C(C)=N/C.
What is the InChIKey of N-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]-N'-methylethanimidamide?
The InChIKey is YAGOLXVAUBESFV-ALCCZGGFSA-N. The full InChI is InChI=1S/C13H27N3O/c1-5-7-8-9-16(6-2)11-13(17)10-15-12(3)14-4/h5,7,13,17H,6,8-11H2,1-4H3,(H,14,15)/b7-5-.
What are the key properties of N-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]-N'-methylethanimidamide?
N-[3-[ethyl-[(Z)-pent-3-enyl]amino]-2-hydroxypropyl]-N'-methylethanimidamide has a molecular weight of 241.38 g/mol, XLogP of 1.27, 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]-N'-methylethanimidamide is sourced from PubChem (CID 90248277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).