N-(2-hydroxyethyl)-N'-methylpentanimidamide

C8H18N2O — CID 90250612

IUPACN-(2-hydroxyethyl)-N'-methylpentanimidamide
SMILESCCCC/C(=N\C)NCCO
InChIInChI=1S/C8H18N2O/c1-3-4-5-8(9-2)10-6-7-11/h11H,3-7H2,1-2H3,(H,9,10)
InChIKeyXDSRJLNRFXBIPR-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.79
Rot. Bonds5

About N-(2-hydroxyethyl)-N'-methylpentanimidamide

N-(2-hydroxyethyl)-N'-methylpentanimidamide (PubChem CID 90250612) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N'-methylpentanimidamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N'-methylpentanimidamide
PubChem CID90250612
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN-(2-hydroxyethyl)-N'-methylpentanimidamide
SMILESCCCC/C(=N\C)NCCO
InChIInChI=1S/C8H18N2O/c1-3-4-5-8(9-2)10-6-7-11/h11H,3-7H2,1-2H3,(H,9,10)
InChIKeyXDSRJLNRFXBIPR-UHFFFAOYSA-N
XLogP0.79
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N'-methylpentanimidamide?
The IUPAC name of N-(2-hydroxyethyl)-N'-methylpentanimidamide (CID 90250612) is N-(2-hydroxyethyl)-N'-methylpentanimidamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N'-methylpentanimidamide?
The canonical SMILES for N-(2-hydroxyethyl)-N'-methylpentanimidamide is CCCC/C(=N\C)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-N'-methylpentanimidamide?
The InChIKey is XDSRJLNRFXBIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-3-4-5-8(9-2)10-6-7-11/h11H,3-7H2,1-2H3,(H,9,10).
What are the key properties of N-(2-hydroxyethyl)-N'-methylpentanimidamide?
N-(2-hydroxyethyl)-N'-methylpentanimidamide has a molecular weight of 158.24 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N'-methylpentanimidamide is sourced from PubChem (CID 90250612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).