N-methyl-N-(2-methylbutyl)ethanimidamide

C8H18N2 — CID 63173185

IUPACN-methyl-N-(2-methylbutyl)ethanimidamide
SMILES[H]/N=C(\C)N(C)CC(C)CC
InChIInChI=1S/C8H18N2/c1-5-7(2)6-10(4)8(3)9/h7,9H,5-6H2,1-4H3/b9-8+
InChIKeyFSEFHQKVZLGSHV-CMDGGOBGSA-N
MW142.25 g/mol
LogP1.96
Rot. Bonds3

About N-methyl-N-(2-methylbutyl)ethanimidamide

N-methyl-N-(2-methylbutyl)ethanimidamide (PubChem CID 63173185) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N-methyl-N-(2-methylbutyl)ethanimidamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylbutyl)ethanimidamide
PubChem CID63173185
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN-methyl-N-(2-methylbutyl)ethanimidamide
SMILES[H]/N=C(\C)N(C)CC(C)CC
InChIInChI=1S/C8H18N2/c1-5-7(2)6-10(4)8(3)9/h7,9H,5-6H2,1-4H3/b9-8+
InChIKeyFSEFHQKVZLGSHV-CMDGGOBGSA-N
XLogP1.96
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-methyl-N-(2-methylbutyl)ethanimidamide?
The IUPAC name of N-methyl-N-(2-methylbutyl)ethanimidamide (CID 63173185) is N-methyl-N-(2-methylbutyl)ethanimidamide.
What is the SMILES notation for N-methyl-N-(2-methylbutyl)ethanimidamide?
The canonical SMILES for N-methyl-N-(2-methylbutyl)ethanimidamide is [H]/N=C(\C)N(C)CC(C)CC.
What is the InChIKey of N-methyl-N-(2-methylbutyl)ethanimidamide?
The InChIKey is FSEFHQKVZLGSHV-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H18N2/c1-5-7(2)6-10(4)8(3)9/h7,9H,5-6H2,1-4H3/b9-8+.
What are the key properties of N-methyl-N-(2-methylbutyl)ethanimidamide?
N-methyl-N-(2-methylbutyl)ethanimidamide has a molecular weight of 142.25 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylbutyl)ethanimidamide is sourced from PubChem (CID 63173185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).