1,2-dimethyl-3-[(E)-pent-3-enyl]-1-pent-4-enylguanidine

C13H25N3 — CID 109498740

IUPAC1,2-dimethyl-3-[(E)-pent-3-enyl]-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N/C)NCC/C=C/C
InChIInChI=1S/C13H25N3/c1-5-7-9-11-15-13(14-3)16(4)12-10-8-6-2/h5-7H,2,8-12H2,1,3-4H3,(H,14,15)/b7-5+
InChIKeyYBYYDQSXSSXDTL-FNORWQNLSA-N
MW223.36 g/mol
LogP2.43
Rot. Bonds7

About 1,2-dimethyl-3-[(E)-pent-3-enyl]-1-pent-4-enylguanidine

1,2-dimethyl-3-[(E)-pent-3-enyl]-1-pent-4-enylguanidine (PubChem CID 109498740) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1,2-dimethyl-3-[(E)-pent-3-enyl]-1-pent-4-enylguanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-[(E)-pent-3-enyl]-1-pent-4-enylguanidine
PubChem CID109498740
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1,2-dimethyl-3-[(E)-pent-3-enyl]-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N/C)NCC/C=C/C
InChIInChI=1S/C13H25N3/c1-5-7-9-11-15-13(14-3)16(4)12-10-8-6-2/h5-7H,2,8-12H2,1,3-4H3,(H,14,15)/b7-5+
InChIKeyYBYYDQSXSSXDTL-FNORWQNLSA-N
XLogP2.43
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.43
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 1,2-dimethyl-3-[(E)-pent-3-enyl]-1-pent-4-enylguanidine 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

3-Ethyl-2-(3-fluoropropyl)-1-hept-6-enyl-1-methylguanidine
CID 109484011
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
1,2-Dimethyl-1-pent-4-enyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109497267
1,2-Dimethyl-1-pent-4-enyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109497268
2-(2,2-Difluoroethyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine
CID 109497288
3-(2,2-Difluoroethyl)-1,2-dimethyl-1-pent-4-enylguanidine
CID 109497790
3-Ethyl-2-(3-fluoropropyl)-1-methyl-1-pent-4-enylguanidine
CID 109498332
3-(3-Fluoropropyl)-1,2-dimethyl-1-pent-4-enylguanidine
CID 109499214
1-Cyclopent-3-en-1-yl-3-ethyl-2-(3-fluoropropyl)guanidine
CID 109771081
2-methyl-1-[(E)-pent-3-enyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111986500

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[(E)-pent-3-enyl]-1-pent-4-enylguanidine?
The IUPAC name of 1,2-dimethyl-3-[(E)-pent-3-enyl]-1-pent-4-enylguanidine (CID 109498740) is 1,2-dimethyl-3-[(E)-pent-3-enyl]-1-pent-4-enylguanidine.
What is the SMILES notation for 1,2-dimethyl-3-[(E)-pent-3-enyl]-1-pent-4-enylguanidine?
The canonical SMILES for 1,2-dimethyl-3-[(E)-pent-3-enyl]-1-pent-4-enylguanidine is C=CCCCN(C)/C(=N/C)NCC/C=C/C.
What is the InChIKey of 1,2-dimethyl-3-[(E)-pent-3-enyl]-1-pent-4-enylguanidine?
The InChIKey is YBYYDQSXSSXDTL-FNORWQNLSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-7-9-11-15-13(14-3)16(4)12-10-8-6-2/h5-7H,2,8-12H2,1,3-4H3,(H,14,15)/b7-5+.
What are the key properties of 1,2-dimethyl-3-[(E)-pent-3-enyl]-1-pent-4-enylguanidine?
1,2-dimethyl-3-[(E)-pent-3-enyl]-1-pent-4-enylguanidine has a molecular weight of 223.36 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[(E)-pent-3-enyl]-1-pent-4-enylguanidine is sourced from PubChem (CID 109498740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).