1-hept-6-enyl-1,2-dimethyl-3-propylguanidine

C13H27N3 — CID 109482959

IUPAC1-hept-6-enyl-1,2-dimethyl-3-propylguanidine
SMILESC=CCCCCCN(C)/C(=N/C)NCCC
InChIInChI=1S/C13H27N3/c1-5-7-8-9-10-12-16(4)13(14-3)15-11-6-2/h5H,1,6-12H2,2-4H3,(H,14,15)
InChIKeyDRRRTEHFUNZVBN-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.65
Rot. Bonds8

About 1-hept-6-enyl-1,2-dimethyl-3-propylguanidine

1-hept-6-enyl-1,2-dimethyl-3-propylguanidine (PubChem CID 109482959) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-hept-6-enyl-1,2-dimethyl-3-propylguanidine.

Molecular Properties

Compound Name1-hept-6-enyl-1,2-dimethyl-3-propylguanidine
PubChem CID109482959
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-hept-6-enyl-1,2-dimethyl-3-propylguanidine
SMILESC=CCCCCCN(C)/C(=N/C)NCCC
InChIInChI=1S/C13H27N3/c1-5-7-8-9-10-12-16(4)13(14-3)15-11-6-2/h5H,1,6-12H2,2-4H3,(H,14,15)
InChIKeyDRRRTEHFUNZVBN-UHFFFAOYSA-N
XLogP2.65
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.65
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-hept-6-enyl-1,2-dimethyl-3-propylguanidine 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-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
1-Hept-6-enyl-1,2-dimethyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
CID 109484301
3-(3-Fluoropropyl)-1-hept-6-enyl-1,2-dimethylguanidine
CID 109484401
1-Hept-6-enyl-1,2-dimethyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
CID 109484564
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 1-hept-6-enyl-1,2-dimethyl-3-propylguanidine?
The IUPAC name of 1-hept-6-enyl-1,2-dimethyl-3-propylguanidine (CID 109482959) is 1-hept-6-enyl-1,2-dimethyl-3-propylguanidine.
What is the SMILES notation for 1-hept-6-enyl-1,2-dimethyl-3-propylguanidine?
The canonical SMILES for 1-hept-6-enyl-1,2-dimethyl-3-propylguanidine is C=CCCCCCN(C)/C(=N/C)NCCC.
What is the InChIKey of 1-hept-6-enyl-1,2-dimethyl-3-propylguanidine?
The InChIKey is DRRRTEHFUNZVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-5-7-8-9-10-12-16(4)13(14-3)15-11-6-2/h5H,1,6-12H2,2-4H3,(H,14,15).
What are the key properties of 1-hept-6-enyl-1,2-dimethyl-3-propylguanidine?
1-hept-6-enyl-1,2-dimethyl-3-propylguanidine has a molecular weight of 225.38 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-enyl-1,2-dimethyl-3-propylguanidine is sourced from PubChem (CID 109482959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).