1-hept-6-enyl-3-[3-(2-methoxyethoxy)propyl]-1,2-dimethylguanidine

C16H33N3O2 — CID 109483725

IUPAC1-hept-6-enyl-3-[3-(2-methoxyethoxy)propyl]-1,2-dimethylguanidine
SMILESC=CCCCCCN(C)/C(=N/C)NCCCOCCOC
InChIInChI=1S/C16H33N3O2/c1-5-6-7-8-9-12-19(3)16(17-2)18-11-10-13-21-15-14-20-4/h5H,1,6-15H2,2-4H3,(H,17,18)
InChIKeyCMRYHGKQYIOSEP-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.29
Rot. Bonds13

About 1-hept-6-enyl-3-[3-(2-methoxyethoxy)propyl]-1,2-dimethylguanidine

1-hept-6-enyl-3-[3-(2-methoxyethoxy)propyl]-1,2-dimethylguanidine (PubChem CID 109483725) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-hept-6-enyl-3-[3-(2-methoxyethoxy)propyl]-1,2-dimethylguanidine.

Molecular Properties

Compound Name1-hept-6-enyl-3-[3-(2-methoxyethoxy)propyl]-1,2-dimethylguanidine
PubChem CID109483725
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name1-hept-6-enyl-3-[3-(2-methoxyethoxy)propyl]-1,2-dimethylguanidine
SMILESC=CCCCCCN(C)/C(=N/C)NCCCOCCOC
InChIInChI=1S/C16H33N3O2/c1-5-6-7-8-9-12-19(3)16(17-2)18-11-10-13-21-15-14-20-4/h5H,1,6-15H2,2-4H3,(H,17,18)
InChIKeyCMRYHGKQYIOSEP-UHFFFAOYSA-N
XLogP2.29
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of 1-hept-6-enyl-3-[3-(2-methoxyethoxy)propyl]-1,2-dimethylguanidine?
The IUPAC name of 1-hept-6-enyl-3-[3-(2-methoxyethoxy)propyl]-1,2-dimethylguanidine (CID 109483725) is 1-hept-6-enyl-3-[3-(2-methoxyethoxy)propyl]-1,2-dimethylguanidine.
What is the SMILES notation for 1-hept-6-enyl-3-[3-(2-methoxyethoxy)propyl]-1,2-dimethylguanidine?
The canonical SMILES for 1-hept-6-enyl-3-[3-(2-methoxyethoxy)propyl]-1,2-dimethylguanidine is C=CCCCCCN(C)/C(=N/C)NCCCOCCOC.
What is the InChIKey of 1-hept-6-enyl-3-[3-(2-methoxyethoxy)propyl]-1,2-dimethylguanidine?
The InChIKey is CMRYHGKQYIOSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-5-6-7-8-9-12-19(3)16(17-2)18-11-10-13-21-15-14-20-4/h5H,1,6-15H2,2-4H3,(H,17,18).
What are the key properties of 1-hept-6-enyl-3-[3-(2-methoxyethoxy)propyl]-1,2-dimethylguanidine?
1-hept-6-enyl-3-[3-(2-methoxyethoxy)propyl]-1,2-dimethylguanidine has a molecular weight of 299.46 g/mol, XLogP of 2.29, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-enyl-3-[3-(2-methoxyethoxy)propyl]-1,2-dimethylguanidine is sourced from PubChem (CID 109483725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).