N-(4-hydroxybutyl)-N'-methylethanimidamide

C7H16N2O — CID 123995490

IUPACN-(4-hydroxybutyl)-N'-methylethanimidamide
SMILESC/N=C(\C)NCCCCO
InChIInChI=1S/C7H16N2O/c1-7(8-2)9-5-3-4-6-10/h10H,3-6H2,1-2H3,(H,8,9)
InChIKeyYNUUMPSEZOZBQE-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.40
Rot. Bonds4

About N-(4-hydroxybutyl)-N'-methylethanimidamide

N-(4-hydroxybutyl)-N'-methylethanimidamide (PubChem CID 123995490) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-N'-methylethanimidamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-N'-methylethanimidamide
PubChem CID123995490
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN-(4-hydroxybutyl)-N'-methylethanimidamide
SMILESC/N=C(\C)NCCCCO
InChIInChI=1S/C7H16N2O/c1-7(8-2)9-5-3-4-6-10/h10H,3-6H2,1-2H3,(H,8,9)
InChIKeyYNUUMPSEZOZBQE-UHFFFAOYSA-N
XLogP0.40
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(4-hydroxybutyl)-N'-methylethanimidamide?
The IUPAC name of N-(4-hydroxybutyl)-N'-methylethanimidamide (CID 123995490) is N-(4-hydroxybutyl)-N'-methylethanimidamide.
What is the SMILES notation for N-(4-hydroxybutyl)-N'-methylethanimidamide?
The canonical SMILES for N-(4-hydroxybutyl)-N'-methylethanimidamide is C/N=C(\C)NCCCCO.
What is the InChIKey of N-(4-hydroxybutyl)-N'-methylethanimidamide?
The InChIKey is YNUUMPSEZOZBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-7(8-2)9-5-3-4-6-10/h10H,3-6H2,1-2H3,(H,8,9).
What are the key properties of N-(4-hydroxybutyl)-N'-methylethanimidamide?
N-(4-hydroxybutyl)-N'-methylethanimidamide has a molecular weight of 144.22 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-N'-methylethanimidamide is sourced from PubChem (CID 123995490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).