N-ethyl-N-methylprop-2-en-1-amine

C6H13N — CID 558363

IUPACN-ethyl-N-methylprop-2-en-1-amine
SMILESC=CCN(C)CC
InChIInChI=1S/C6H13N/c1-4-6-7(3)5-2/h4H,1,5-6H2,2-3H3
InChIKeyLQVWXFHNYICENT-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.12
Rot. Bonds3

About N-ethyl-N-methylprop-2-en-1-amine

N-ethyl-N-methylprop-2-en-1-amine (PubChem CID 558363) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is N-ethyl-N-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-N-methylprop-2-en-1-amine
PubChem CID558363
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC NameN-ethyl-N-methylprop-2-en-1-amine
SMILESC=CCN(C)CC
InChIInChI=1S/C6H13N/c1-4-6-7(3)5-2/h4H,1,5-6H2,2-3H3
InChIKeyLQVWXFHNYICENT-UHFFFAOYSA-N
XLogP1.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethyl-N-methylprop-2-en-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-methylprop-2-en-1-amine?
The IUPAC name of N-ethyl-N-methylprop-2-en-1-amine (CID 558363) is N-ethyl-N-methylprop-2-en-1-amine.
What is the SMILES notation for N-ethyl-N-methylprop-2-en-1-amine?
The canonical SMILES for N-ethyl-N-methylprop-2-en-1-amine is C=CCN(C)CC.
What is the InChIKey of N-ethyl-N-methylprop-2-en-1-amine?
The InChIKey is LQVWXFHNYICENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N/c1-4-6-7(3)5-2/h4H,1,5-6H2,2-3H3.
What are the key properties of N-ethyl-N-methylprop-2-en-1-amine?
N-ethyl-N-methylprop-2-en-1-amine has a molecular weight of 99.18 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methylprop-2-en-1-amine is sourced from PubChem (CID 558363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).