3-ethyl-1-hept-6-enyl-1-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine

C17H32N4O — CID 109483031

IUPAC3-ethyl-1-hept-6-enyl-1-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
SMILESC=CCCCCCN(C)/C(=N/CC(=O)N1CCCC1)NCC
InChIInChI=1S/C17H32N4O/c1-4-6-7-8-9-12-20(3)17(18-5-2)19-15-16(22)21-13-10-11-14-21/h4H,1,5-15H2,2-3H3,(H,18,19)
InChIKeyHTVFMLCYQLKXLU-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.25
Rot. Bonds9

About 3-ethyl-1-hept-6-enyl-1-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine

3-ethyl-1-hept-6-enyl-1-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine (PubChem CID 109483031) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is 3-ethyl-1-hept-6-enyl-1-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine.

Molecular Properties

Compound Name3-ethyl-1-hept-6-enyl-1-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
PubChem CID109483031
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC Name3-ethyl-1-hept-6-enyl-1-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
SMILESC=CCCCCCN(C)/C(=N/CC(=O)N1CCCC1)NCC
InChIInChI=1S/C17H32N4O/c1-4-6-7-8-9-12-20(3)17(18-5-2)19-15-16(22)21-13-10-11-14-21/h4H,1,5-15H2,2-3H3,(H,18,19)
InChIKeyHTVFMLCYQLKXLU-UHFFFAOYSA-N
XLogP2.25
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-ethyl-1-hept-6-enyl-1-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine 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 3-ethyl-1-hept-6-enyl-1-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine?
The IUPAC name of 3-ethyl-1-hept-6-enyl-1-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine (CID 109483031) is 3-ethyl-1-hept-6-enyl-1-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine.
What is the SMILES notation for 3-ethyl-1-hept-6-enyl-1-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine?
The canonical SMILES for 3-ethyl-1-hept-6-enyl-1-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine is C=CCCCCCN(C)/C(=N/CC(=O)N1CCCC1)NCC.
What is the InChIKey of 3-ethyl-1-hept-6-enyl-1-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine?
The InChIKey is HTVFMLCYQLKXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O/c1-4-6-7-8-9-12-20(3)17(18-5-2)19-15-16(22)21-13-10-11-14-21/h4H,1,5-15H2,2-3H3,(H,18,19).
What are the key properties of 3-ethyl-1-hept-6-enyl-1-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine?
3-ethyl-1-hept-6-enyl-1-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine has a molecular weight of 308.47 g/mol, XLogP of 2.25, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-hept-6-enyl-1-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine is sourced from PubChem (CID 109483031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).