N-ethyl-N-methyl-4-methyliminobutan-1-amine

C8H18N2 — CID 89144882

IUPACN-ethyl-N-methyl-4-methyliminobutan-1-amine
SMILESCCN(C)CCC/C=N/C
InChIInChI=1S/C8H18N2/c1-4-10(3)8-6-5-7-9-2/h7H,4-6,8H2,1-3H3/b9-7+
InChIKeyDRQOAFMZPXXTMA-VQHVLOKHSA-N
MW142.25 g/mol
LogP1.42
Rot. Bonds5

About N-ethyl-N-methyl-4-methyliminobutan-1-amine

N-ethyl-N-methyl-4-methyliminobutan-1-amine (PubChem CID 89144882) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N-ethyl-N-methyl-4-methyliminobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-4-methyliminobutan-1-amine
PubChem CID89144882
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN-ethyl-N-methyl-4-methyliminobutan-1-amine
SMILESCCN(C)CCC/C=N/C
InChIInChI=1S/C8H18N2/c1-4-10(3)8-6-5-7-9-2/h7H,4-6,8H2,1-3H3/b9-7+
InChIKeyDRQOAFMZPXXTMA-VQHVLOKHSA-N
XLogP1.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-N-methyl-4-methyliminobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-4-methyliminobutan-1-amine?
The IUPAC name of N-ethyl-N-methyl-4-methyliminobutan-1-amine (CID 89144882) is N-ethyl-N-methyl-4-methyliminobutan-1-amine.
What is the SMILES notation for N-ethyl-N-methyl-4-methyliminobutan-1-amine?
The canonical SMILES for N-ethyl-N-methyl-4-methyliminobutan-1-amine is CCN(C)CCC/C=N/C.
What is the InChIKey of N-ethyl-N-methyl-4-methyliminobutan-1-amine?
The InChIKey is DRQOAFMZPXXTMA-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-10(3)8-6-5-7-9-2/h7H,4-6,8H2,1-3H3/b9-7+.
What are the key properties of N-ethyl-N-methyl-4-methyliminobutan-1-amine?
N-ethyl-N-methyl-4-methyliminobutan-1-amine has a molecular weight of 142.25 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-4-methyliminobutan-1-amine is sourced from PubChem (CID 89144882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).