1-hept-6-enyl-1,2-dimethyl-3-[2-(2-methylpropoxy)ethyl]guanidine

C16H33N3O — CID 109483527

IUPAC1-hept-6-enyl-1,2-dimethyl-3-[2-(2-methylpropoxy)ethyl]guanidine
SMILESC=CCCCCCN(C)/C(=N/C)NCCOCC(C)C
InChIInChI=1S/C16H33N3O/c1-6-7-8-9-10-12-19(5)16(17-4)18-11-13-20-14-15(2)3/h6,15H,1,7-14H2,2-5H3,(H,17,18)
InChIKeyUNZPIJPQVDXZND-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.91
Rot. Bonds11

About 1-hept-6-enyl-1,2-dimethyl-3-[2-(2-methylpropoxy)ethyl]guanidine

1-hept-6-enyl-1,2-dimethyl-3-[2-(2-methylpropoxy)ethyl]guanidine (PubChem CID 109483527) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-hept-6-enyl-1,2-dimethyl-3-[2-(2-methylpropoxy)ethyl]guanidine.

Molecular Properties

Compound Name1-hept-6-enyl-1,2-dimethyl-3-[2-(2-methylpropoxy)ethyl]guanidine
PubChem CID109483527
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name1-hept-6-enyl-1,2-dimethyl-3-[2-(2-methylpropoxy)ethyl]guanidine
SMILESC=CCCCCCN(C)/C(=N/C)NCCOCC(C)C
InChIInChI=1S/C16H33N3O/c1-6-7-8-9-10-12-19(5)16(17-4)18-11-13-20-14-15(2)3/h6,15H,1,7-14H2,2-5H3,(H,17,18)
InChIKeyUNZPIJPQVDXZND-UHFFFAOYSA-N
XLogP2.91
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-1,2-dimethyl-3-[2-(2-methylpropoxy)ethyl]guanidine?
The IUPAC name of 1-hept-6-enyl-1,2-dimethyl-3-[2-(2-methylpropoxy)ethyl]guanidine (CID 109483527) is 1-hept-6-enyl-1,2-dimethyl-3-[2-(2-methylpropoxy)ethyl]guanidine.
What is the SMILES notation for 1-hept-6-enyl-1,2-dimethyl-3-[2-(2-methylpropoxy)ethyl]guanidine?
The canonical SMILES for 1-hept-6-enyl-1,2-dimethyl-3-[2-(2-methylpropoxy)ethyl]guanidine is C=CCCCCCN(C)/C(=N/C)NCCOCC(C)C.
What is the InChIKey of 1-hept-6-enyl-1,2-dimethyl-3-[2-(2-methylpropoxy)ethyl]guanidine?
The InChIKey is UNZPIJPQVDXZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-6-7-8-9-10-12-19(5)16(17-4)18-11-13-20-14-15(2)3/h6,15H,1,7-14H2,2-5H3,(H,17,18).
What are the key properties of 1-hept-6-enyl-1,2-dimethyl-3-[2-(2-methylpropoxy)ethyl]guanidine?
1-hept-6-enyl-1,2-dimethyl-3-[2-(2-methylpropoxy)ethyl]guanidine has a molecular weight of 283.46 g/mol, XLogP of 2.91, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-enyl-1,2-dimethyl-3-[2-(2-methylpropoxy)ethyl]guanidine is sourced from PubChem (CID 109483527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).