3-ethyl-1-hept-6-enyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine

C19H38N4O — CID 109483159

IUPAC3-ethyl-1-hept-6-enyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine
SMILESC=CCCCCCN(C)/C(=N/CCCCN1CCOCC1)NCC
InChIInChI=1S/C19H38N4O/c1-4-6-7-8-10-13-22(3)19(20-5-2)21-12-9-11-14-23-15-17-24-18-16-23/h4H,1,5-18H2,2-3H3,(H,20,21)
InChIKeyOZXKUPBUDDDGIX-UHFFFAOYSA-N
MW338.54 g/mol
LogP2.74
Rot. Bonds12

About 3-ethyl-1-hept-6-enyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine

3-ethyl-1-hept-6-enyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine (PubChem CID 109483159) has the molecular formula C19H38N4O and a molecular weight of 338.54 g/mol. Its IUPAC name is 3-ethyl-1-hept-6-enyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine.

Molecular Properties

Compound Name3-ethyl-1-hept-6-enyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine
PubChem CID109483159
Molecular FormulaC19H38N4O
Molecular Weight338.54 g/mol
Exact Mass338.30
IUPAC Name3-ethyl-1-hept-6-enyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine
SMILESC=CCCCCCN(C)/C(=N/CCCCN1CCOCC1)NCC
InChIInChI=1S/C19H38N4O/c1-4-6-7-8-10-13-22(3)19(20-5-2)21-12-9-11-14-23-15-17-24-18-16-23/h4H,1,5-18H2,2-3H3,(H,20,21)
InChIKeyOZXKUPBUDDDGIX-UHFFFAOYSA-N
XLogP2.74
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 52.74
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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Related Compounds

1-Hept-6-enyl-1,2-dimethyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 109482918
1-Hept-6-enyl-1,2-dimethyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 109482919
2-(2-Ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
CID 109483046
2-(2-Ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine
CID 109483047
1-Hept-6-enyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethylguanidine;hydroiodide
CID 109483098
1-Hept-6-enyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethylguanidine
CID 109483099
1-Hept-6-enyl-3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethylguanidine;hydroiodide
CID 109483152
1-Hept-6-enyl-3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethylguanidine
CID 109483153
3-Ethyl-1-hept-6-enyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 109483158
3-Ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
CID 109483184
3-Ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 109483185
1-Hept-6-enyl-3-(2-methoxyethyl)-1,2-dimethylguanidine;hydroiodide
CID 109483196

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-hept-6-enyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine?
The IUPAC name of 3-ethyl-1-hept-6-enyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine (CID 109483159) is 3-ethyl-1-hept-6-enyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine.
What is the SMILES notation for 3-ethyl-1-hept-6-enyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine?
The canonical SMILES for 3-ethyl-1-hept-6-enyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine is C=CCCCCCN(C)/C(=N/CCCCN1CCOCC1)NCC.
What is the InChIKey of 3-ethyl-1-hept-6-enyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine?
The InChIKey is OZXKUPBUDDDGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O/c1-4-6-7-8-10-13-22(3)19(20-5-2)21-12-9-11-14-23-15-17-24-18-16-23/h4H,1,5-18H2,2-3H3,(H,20,21).
What are the key properties of 3-ethyl-1-hept-6-enyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine?
3-ethyl-1-hept-6-enyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine has a molecular weight of 338.54 g/mol, XLogP of 2.74, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-hept-6-enyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine is sourced from PubChem (CID 109483159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).