3-ethyl-1-methyl-1-pent-4-enyl-2-pentylguanidine

C14H29N3 — CID 109496524

IUPAC3-ethyl-1-methyl-1-pent-4-enyl-2-pentylguanidine
SMILESC=CCCCN(C)/C(=N\CCCCC)NCC
InChIInChI=1S/C14H29N3/c1-5-8-10-12-16-14(15-7-3)17(4)13-11-9-6-2/h6H,2,5,7-13H2,1,3-4H3,(H,15,16)
InChIKeyGIBDWMKTDFZSSB-UHFFFAOYSA-N
MW239.41 g/mol
LogP3.04
Rot. Bonds9

About 3-ethyl-1-methyl-1-pent-4-enyl-2-pentylguanidine

3-ethyl-1-methyl-1-pent-4-enyl-2-pentylguanidine (PubChem CID 109496524) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 3-ethyl-1-methyl-1-pent-4-enyl-2-pentylguanidine.

Molecular Properties

Compound Name3-ethyl-1-methyl-1-pent-4-enyl-2-pentylguanidine
PubChem CID109496524
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name3-ethyl-1-methyl-1-pent-4-enyl-2-pentylguanidine
SMILESC=CCCCN(C)/C(=N\CCCCC)NCC
InChIInChI=1S/C14H29N3/c1-5-8-10-12-16-14(15-7-3)17(4)13-11-9-6-2/h6H,2,5,7-13H2,1,3-4H3,(H,15,16)
InChIKeyGIBDWMKTDFZSSB-UHFFFAOYSA-N
XLogP3.04
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 53.04
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-ethyl-1-methyl-1-pent-4-enyl-2-pentylguanidine 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

1-(4-Aminobutyl)-3-but-3-en-1-ylguanidine
CID 137234568
2-ethyl-1-[(3R)-3-fluorohex-5-en-2-yl]guanidine
CID 146490883
1-Hept-6-enyl-1,2-dimethyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109483544
1-Hept-6-enyl-1,2-dimethyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109483545
2-(2,2-Difluoroethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine
CID 109483559
3-(2,2-Difluoroethyl)-1-hept-6-enyl-1,2-dimethylguanidine
CID 109483769
3-Ethyl-2-(3-fluoropropyl)-1-hept-6-enyl-1-methylguanidine
CID 109484011
1-Hept-6-enyl-1,2-dimethyl-3-(5,5,5-trifluoropentyl)guanidine;hydroiodide
CID 109484214
1-Hept-6-enyl-1,2-dimethyl-3-(5,5,5-trifluoropentyl)guanidine
CID 109484215
3-(3-Fluoropropyl)-1-hept-6-enyl-1,2-dimethylguanidine
CID 109484401
3-Ethyl-1-methyl-1-pent-4-enyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109496212
3-Ethyl-1-methyl-1-pent-4-enyl-2-(3,3,3-trifluoropropyl)guanidine
CID 109496213

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-1-pent-4-enyl-2-pentylguanidine?
The IUPAC name of 3-ethyl-1-methyl-1-pent-4-enyl-2-pentylguanidine (CID 109496524) is 3-ethyl-1-methyl-1-pent-4-enyl-2-pentylguanidine.
What is the SMILES notation for 3-ethyl-1-methyl-1-pent-4-enyl-2-pentylguanidine?
The canonical SMILES for 3-ethyl-1-methyl-1-pent-4-enyl-2-pentylguanidine is C=CCCCN(C)/C(=N\CCCCC)NCC.
What is the InChIKey of 3-ethyl-1-methyl-1-pent-4-enyl-2-pentylguanidine?
The InChIKey is GIBDWMKTDFZSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-5-8-10-12-16-14(15-7-3)17(4)13-11-9-6-2/h6H,2,5,7-13H2,1,3-4H3,(H,15,16).
What are the key properties of 3-ethyl-1-methyl-1-pent-4-enyl-2-pentylguanidine?
3-ethyl-1-methyl-1-pent-4-enyl-2-pentylguanidine has a molecular weight of 239.41 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-1-pent-4-enyl-2-pentylguanidine is sourced from PubChem (CID 109496524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).