N-ethyl-N'-(5-methylhexyl)pyrrolidine-1-carboximidamide

C14H29N3 — CID 111790182

IUPACN-ethyl-N'-(5-methylhexyl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCCCC(C)C)N1CCCC1
InChIInChI=1S/C14H29N3/c1-4-15-14(17-11-7-8-12-17)16-10-6-5-9-13(2)3/h13H,4-12H2,1-3H3,(H,15,16)
InChIKeyAOXRFVINSMUXQC-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.87
Rot. Bonds6

About N-ethyl-N'-(5-methylhexyl)pyrrolidine-1-carboximidamide

N-ethyl-N'-(5-methylhexyl)pyrrolidine-1-carboximidamide (PubChem CID 111790182) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-ethyl-N'-(5-methylhexyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-(5-methylhexyl)pyrrolidine-1-carboximidamide
PubChem CID111790182
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-ethyl-N'-(5-methylhexyl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCCCC(C)C)N1CCCC1
InChIInChI=1S/C14H29N3/c1-4-15-14(17-11-7-8-12-17)16-10-6-5-9-13(2)3/h13H,4-12H2,1-3H3,(H,15,16)
InChIKeyAOXRFVINSMUXQC-UHFFFAOYSA-N
XLogP2.87
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

Analyze N-ethyl-N'-(5-methylhexyl)pyrrolidine-1-carboximidamide with MolForge

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

Launch Full Analysis

Related Compounds

N'-[2-[di(propan-2-yl)amino]ethyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110955978
N-ethyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-1-carboximidamide
CID 110956270
N'-(5-cyclohexyloxypentyl)-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111758749
N-ethyl-N'-[4-(3-methylpiperidin-1-yl)butyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110955493
N-ethyl-N'-[3-[ethyl(methylsulfonyl)amino]propyl]pyrrolidine-1-carboximidamide
CID 110956756
N'-[2-(tert-butylamino)ethyl]-N-ethylpyrrolidine-1-carboximidamide
CID 111758730
N-ethyl-N'-[4-(4-methylphenoxy)butyl]pyrrolidine-1-carboximidamide
CID 110955508
N-ethyl-N'-(3-methylbutyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377293
N-ethyl-N'-[4-(2-oxo-1-pyridinyl)butyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110955415
N-ethyl-N'-[3-(oxan-4-yloxy)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111770641
4-acetyl-N-ethyl-N'-pentylpiperazine-1-carboximidamide;hydroiodide
CID 110963136
N-ethyl-N'-[2-[ethyl(propyl)amino]ethyl]pyrrolidine-1-carboximidamide
CID 111833709

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(5-methylhexyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-(5-methylhexyl)pyrrolidine-1-carboximidamide (CID 111790182) is N-ethyl-N'-(5-methylhexyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-(5-methylhexyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-(5-methylhexyl)pyrrolidine-1-carboximidamide is CCN/C(=N\CCCCC(C)C)N1CCCC1.
What is the InChIKey of N-ethyl-N'-(5-methylhexyl)pyrrolidine-1-carboximidamide?
The InChIKey is AOXRFVINSMUXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-4-15-14(17-11-7-8-12-17)16-10-6-5-9-13(2)3/h13H,4-12H2,1-3H3,(H,15,16).
What are the key properties of N-ethyl-N'-(5-methylhexyl)pyrrolidine-1-carboximidamide?
N-ethyl-N'-(5-methylhexyl)pyrrolidine-1-carboximidamide has a molecular weight of 239.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(5-methylhexyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111790182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).