N-ethyl-N,2-dimethylpent-4-en-1-amine

C9H19N — CID 139352372

IUPACN-ethyl-N,2-dimethylpent-4-en-1-amine
SMILESC=CCC(C)CN(C)CC
InChIInChI=1S/C9H19N/c1-5-7-9(3)8-10(4)6-2/h5,9H,1,6-8H2,2-4H3
InChIKeyAIFPLOPFNCJGED-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.15
Rot. Bonds5

About N-ethyl-N,2-dimethylpent-4-en-1-amine

N-ethyl-N,2-dimethylpent-4-en-1-amine (PubChem CID 139352372) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N-ethyl-N,2-dimethylpent-4-en-1-amine.

Molecular Properties

Compound NameN-ethyl-N,2-dimethylpent-4-en-1-amine
PubChem CID139352372
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN-ethyl-N,2-dimethylpent-4-en-1-amine
SMILESC=CCC(C)CN(C)CC
InChIInChI=1S/C9H19N/c1-5-7-9(3)8-10(4)6-2/h5,9H,1,6-8H2,2-4H3
InChIKeyAIFPLOPFNCJGED-UHFFFAOYSA-N
XLogP2.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethyl-N,2-dimethylpent-4-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,2-dimethylpent-4-en-1-amine?
The IUPAC name of N-ethyl-N,2-dimethylpent-4-en-1-amine (CID 139352372) is N-ethyl-N,2-dimethylpent-4-en-1-amine.
What is the SMILES notation for N-ethyl-N,2-dimethylpent-4-en-1-amine?
The canonical SMILES for N-ethyl-N,2-dimethylpent-4-en-1-amine is C=CCC(C)CN(C)CC.
What is the InChIKey of N-ethyl-N,2-dimethylpent-4-en-1-amine?
The InChIKey is AIFPLOPFNCJGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-5-7-9(3)8-10(4)6-2/h5,9H,1,6-8H2,2-4H3.
What are the key properties of N-ethyl-N,2-dimethylpent-4-en-1-amine?
N-ethyl-N,2-dimethylpent-4-en-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,2-dimethylpent-4-en-1-amine is sourced from PubChem (CID 139352372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).