N-methyl-N-pent-1-en-2-ylethanimidamide

C8H16N2 — CID 138711688

IUPACN-methyl-N-pent-1-en-2-ylethanimidamide
SMILES[H]/N=C(\C)N(C)C(=C)CCC
InChIInChI=1S/C8H16N2/c1-5-6-7(2)10(4)8(3)9/h9H,2,5-6H2,1,3-4H3/b9-8+
InChIKeyQZICYIAQEFKQEM-CMDGGOBGSA-N
MW140.23 g/mol
LogP2.23
Rot. Bonds3

About N-methyl-N-pent-1-en-2-ylethanimidamide

N-methyl-N-pent-1-en-2-ylethanimidamide (PubChem CID 138711688) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-methyl-N-pent-1-en-2-ylethanimidamide.

Molecular Properties

Compound NameN-methyl-N-pent-1-en-2-ylethanimidamide
PubChem CID138711688
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-methyl-N-pent-1-en-2-ylethanimidamide
SMILES[H]/N=C(\C)N(C)C(=C)CCC
InChIInChI=1S/C8H16N2/c1-5-6-7(2)10(4)8(3)9/h9H,2,5-6H2,1,3-4H3/b9-8+
InChIKeyQZICYIAQEFKQEM-CMDGGOBGSA-N
XLogP2.23
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.23
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'}

Analyze N-methyl-N-pent-1-en-2-ylethanimidamide 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-methyl-N-pent-1-en-2-ylethanimidamide?
The IUPAC name of N-methyl-N-pent-1-en-2-ylethanimidamide (CID 138711688) is N-methyl-N-pent-1-en-2-ylethanimidamide.
What is the SMILES notation for N-methyl-N-pent-1-en-2-ylethanimidamide?
The canonical SMILES for N-methyl-N-pent-1-en-2-ylethanimidamide is [H]/N=C(\C)N(C)C(=C)CCC.
What is the InChIKey of N-methyl-N-pent-1-en-2-ylethanimidamide?
The InChIKey is QZICYIAQEFKQEM-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-6-7(2)10(4)8(3)9/h9H,2,5-6H2,1,3-4H3/b9-8+.
What are the key properties of N-methyl-N-pent-1-en-2-ylethanimidamide?
N-methyl-N-pent-1-en-2-ylethanimidamide has a molecular weight of 140.23 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pent-1-en-2-ylethanimidamide is sourced from PubChem (CID 138711688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).