1-hept-6-enyl-1,2-dimethyl-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine

C20H38N4O2 — CID 109483289

IUPAC1-hept-6-enyl-1,2-dimethyl-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine
SMILESC=CCCCCCN(C)/C(=N\C)NCC(C1CCOC1)N1CCOCC1
InChIInChI=1S/C20H38N4O2/c1-4-5-6-7-8-10-23(3)20(21-2)22-16-19(18-9-13-26-17-18)24-11-14-25-15-12-24/h4,18-19H,1,5-17H2,2-3H3,(H,21,22)
InChIKeyCSOFKQUUMBLAII-UHFFFAOYSA-N
MW366.55 g/mol
LogP1.98
Rot. Bonds10

About 1-hept-6-enyl-1,2-dimethyl-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine

1-hept-6-enyl-1,2-dimethyl-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine (PubChem CID 109483289) has the molecular formula C20H38N4O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is 1-hept-6-enyl-1,2-dimethyl-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-hept-6-enyl-1,2-dimethyl-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine
PubChem CID109483289
Molecular FormulaC20H38N4O2
Molecular Weight366.55 g/mol
Exact Mass366.30
IUPAC Name1-hept-6-enyl-1,2-dimethyl-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine
SMILESC=CCCCCCN(C)/C(=N\C)NCC(C1CCOC1)N1CCOCC1
InChIInChI=1S/C20H38N4O2/c1-4-5-6-7-8-10-23(3)20(21-2)22-16-19(18-9-13-26-17-18)24-11-14-25-15-12-24/h4,18-19H,1,5-17H2,2-3H3,(H,21,22)
InChIKeyCSOFKQUUMBLAII-UHFFFAOYSA-N
XLogP1.98
TPSA49.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-(2,2-difluoroethyl)-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109483768
1-hept-6-enyl-1,2-dimethyl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
CID 109483867
1-hept-6-enyl-1,2-dimethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
CID 109483656
2-methyl-1-(2-methylcyclopropyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine;hydroiodide
CID 111937506
1-hept-6-enyl-1,2-dimethyl-3-[(4-methylsulfonyloxan-4-yl)methyl]guanidine
CID 109483985
1-(3-cyclohexyloxypropyl)-2-methyl-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine
CID 111397882
3-[2-[cyclopropyl(methyl)amino]propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109499441
1,2-dimethyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-pent-4-enylguanidine
CID 109497886
1-hept-6-enyl-1,2-dimethyl-3-[(4-methylsulfonyloxan-4-yl)methyl]guanidine;hydroiodide
CID 109483984
2-amino-N-hept-6-enyl-N-methyl-2-(oxan-4-yl)acetamide
CID 120793870
1-(4-cyclohexylbutan-2-yl)-2-methyl-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine;hydroiodide
CID 109482441
1-(1-adamantylmethyl)-2-methyl-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine;hydroiodide
CID 111255352

Frequently Asked Questions

What is the IUPAC name of 1-hept-6-enyl-1,2-dimethyl-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine?
The IUPAC name of 1-hept-6-enyl-1,2-dimethyl-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine (CID 109483289) is 1-hept-6-enyl-1,2-dimethyl-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-hept-6-enyl-1,2-dimethyl-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine?
The canonical SMILES for 1-hept-6-enyl-1,2-dimethyl-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine is C=CCCCCCN(C)/C(=N\C)NCC(C1CCOC1)N1CCOCC1.
What is the InChIKey of 1-hept-6-enyl-1,2-dimethyl-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine?
The InChIKey is CSOFKQUUMBLAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O2/c1-4-5-6-7-8-10-23(3)20(21-2)22-16-19(18-9-13-26-17-18)24-11-14-25-15-12-24/h4,18-19H,1,5-17H2,2-3H3,(H,21,22).
What are the key properties of 1-hept-6-enyl-1,2-dimethyl-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine?
1-hept-6-enyl-1,2-dimethyl-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine has a molecular weight of 366.55 g/mol, XLogP of 1.98, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-enyl-1,2-dimethyl-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine is sourced from PubChem (CID 109483289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).