N-(4-methoxybutyl)-N-methylethanimidamide

C8H18N2O — CID 142132358

IUPACN-(4-methoxybutyl)-N-methylethanimidamide
SMILES[H]/N=C(\C)N(C)CCCCOC
InChIInChI=1S/C8H18N2O/c1-8(9)10(2)6-4-5-7-11-3/h9H,4-7H2,1-3H3/b9-8+
InChIKeyMAHPJXOQBRUWNZ-CMDGGOBGSA-N
MW158.25 g/mol
LogP1.34
Rot. Bonds5

About N-(4-methoxybutyl)-N-methylethanimidamide

N-(4-methoxybutyl)-N-methylethanimidamide (PubChem CID 142132358) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is N-(4-methoxybutyl)-N-methylethanimidamide.

Molecular Properties

Compound NameN-(4-methoxybutyl)-N-methylethanimidamide
PubChem CID142132358
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC NameN-(4-methoxybutyl)-N-methylethanimidamide
SMILES[H]/N=C(\C)N(C)CCCCOC
InChIInChI=1S/C8H18N2O/c1-8(9)10(2)6-4-5-7-11-3/h9H,4-7H2,1-3H3/b9-8+
InChIKeyMAHPJXOQBRUWNZ-CMDGGOBGSA-N
XLogP1.34
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
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-methoxybutyl)-N-methylethanimidamide?
The IUPAC name of N-(4-methoxybutyl)-N-methylethanimidamide (CID 142132358) is N-(4-methoxybutyl)-N-methylethanimidamide.
What is the SMILES notation for N-(4-methoxybutyl)-N-methylethanimidamide?
The canonical SMILES for N-(4-methoxybutyl)-N-methylethanimidamide is [H]/N=C(\C)N(C)CCCCOC.
What is the InChIKey of N-(4-methoxybutyl)-N-methylethanimidamide?
The InChIKey is MAHPJXOQBRUWNZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H18N2O/c1-8(9)10(2)6-4-5-7-11-3/h9H,4-7H2,1-3H3/b9-8+.
What are the key properties of N-(4-methoxybutyl)-N-methylethanimidamide?
N-(4-methoxybutyl)-N-methylethanimidamide has a molecular weight of 158.25 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-N-methylethanimidamide is sourced from PubChem (CID 142132358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).