3-ethyl-1-hept-6-enyl-1,2-dimethylguanidine

C12H25N3 — CID 109483441

IUPAC3-ethyl-1-hept-6-enyl-1,2-dimethylguanidine
SMILESC=CCCCCCN(C)/C(=N/C)NCC
InChIInChI=1S/C12H25N3/c1-5-7-8-9-10-11-15(4)12(13-3)14-6-2/h5H,1,6-11H2,2-4H3,(H,13,14)
InChIKeyFGCVUXZZEGOVRP-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.26
Rot. Bonds7

About 3-ethyl-1-hept-6-enyl-1,2-dimethylguanidine

3-ethyl-1-hept-6-enyl-1,2-dimethylguanidine (PubChem CID 109483441) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-ethyl-1-hept-6-enyl-1,2-dimethylguanidine.

Molecular Properties

Compound Name3-ethyl-1-hept-6-enyl-1,2-dimethylguanidine
PubChem CID109483441
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name3-ethyl-1-hept-6-enyl-1,2-dimethylguanidine
SMILESC=CCCCCCN(C)/C(=N/C)NCC
InChIInChI=1S/C12H25N3/c1-5-7-8-9-10-11-15(4)12(13-3)14-6-2/h5H,1,6-11H2,2-4H3,(H,13,14)
InChIKeyFGCVUXZZEGOVRP-UHFFFAOYSA-N
XLogP2.26
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.26
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-hept-6-enyl-1,2-dimethylguanidine?
The IUPAC name of 3-ethyl-1-hept-6-enyl-1,2-dimethylguanidine (CID 109483441) is 3-ethyl-1-hept-6-enyl-1,2-dimethylguanidine.
What is the SMILES notation for 3-ethyl-1-hept-6-enyl-1,2-dimethylguanidine?
The canonical SMILES for 3-ethyl-1-hept-6-enyl-1,2-dimethylguanidine is C=CCCCCCN(C)/C(=N/C)NCC.
What is the InChIKey of 3-ethyl-1-hept-6-enyl-1,2-dimethylguanidine?
The InChIKey is FGCVUXZZEGOVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-5-7-8-9-10-11-15(4)12(13-3)14-6-2/h5H,1,6-11H2,2-4H3,(H,13,14).
What are the key properties of 3-ethyl-1-hept-6-enyl-1,2-dimethylguanidine?
3-ethyl-1-hept-6-enyl-1,2-dimethylguanidine has a molecular weight of 211.35 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-hept-6-enyl-1,2-dimethylguanidine is sourced from PubChem (CID 109483441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).