N-ethyl-N-(2-methylbutyl)ethanimidamide

C9H20N2 — CID 79470801

IUPACN-ethyl-N-(2-methylbutyl)ethanimidamide
SMILES[H]/N=C(\C)N(CC)CC(C)CC
InChIInChI=1S/C9H20N2/c1-5-8(3)7-11(6-2)9(4)10/h8,10H,5-7H2,1-4H3/b10-9+
InChIKeyAOHUNVNXOQLECA-MDZDMXLPSA-N
MW156.27 g/mol
LogP2.35
Rot. Bonds4

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

N-ethyl-N-(2-methylbutyl)ethanimidamide (PubChem CID 79470801) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N-ethyl-N-(2-methylbutyl)ethanimidamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylbutyl)ethanimidamide
PubChem CID79470801
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN-ethyl-N-(2-methylbutyl)ethanimidamide
SMILES[H]/N=C(\C)N(CC)CC(C)CC
InChIInChI=1S/C9H20N2/c1-5-8(3)7-11(6-2)9(4)10/h8,10H,5-7H2,1-4H3/b10-9+
InChIKeyAOHUNVNXOQLECA-MDZDMXLPSA-N
XLogP2.35
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.35
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-ethyl-N-(2-methylbutyl)ethanimidamide?
The IUPAC name of N-ethyl-N-(2-methylbutyl)ethanimidamide (CID 79470801) is N-ethyl-N-(2-methylbutyl)ethanimidamide.
What is the SMILES notation for N-ethyl-N-(2-methylbutyl)ethanimidamide?
The canonical SMILES for N-ethyl-N-(2-methylbutyl)ethanimidamide is [H]/N=C(\C)N(CC)CC(C)CC.
What is the InChIKey of N-ethyl-N-(2-methylbutyl)ethanimidamide?
The InChIKey is AOHUNVNXOQLECA-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H20N2/c1-5-8(3)7-11(6-2)9(4)10/h8,10H,5-7H2,1-4H3/b10-9+.
What are the key properties of N-ethyl-N-(2-methylbutyl)ethanimidamide?
N-ethyl-N-(2-methylbutyl)ethanimidamide has a molecular weight of 156.27 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylbutyl)ethanimidamide is sourced from PubChem (CID 79470801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).