3-ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine

C17H34N4O — CID 109483185

IUPAC3-ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine
SMILESC=CCCCCCN(C)/C(=N/CC1CN(C)CCO1)NCC
InChIInChI=1S/C17H34N4O/c1-5-7-8-9-10-11-21(4)17(18-6-2)19-14-16-15-20(3)12-13-22-16/h5,16H,1,6-15H2,2-4H3,(H,18,19)
InChIKeyBUOIKMPFRYXGSK-UHFFFAOYSA-N
MW310.49 g/mol
LogP1.96
Rot. Bonds9

About 3-ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine

3-ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine (PubChem CID 109483185) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is 3-ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine.

Molecular Properties

Compound Name3-ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine
PubChem CID109483185
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC Name3-ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine
SMILESC=CCCCCCN(C)/C(=N/CC1CN(C)CCO1)NCC
InChIInChI=1S/C17H34N4O/c1-5-7-8-9-10-11-21(4)17(18-6-2)19-14-16-15-20(3)12-13-22-16/h5,16H,1,6-15H2,2-4H3,(H,18,19)
InChIKeyBUOIKMPFRYXGSK-UHFFFAOYSA-N
XLogP1.96
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 51.96
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 3-ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine?
The IUPAC name of 3-ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine (CID 109483185) is 3-ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine.
What is the SMILES notation for 3-ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine?
The canonical SMILES for 3-ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine is C=CCCCCCN(C)/C(=N/CC1CN(C)CCO1)NCC.
What is the InChIKey of 3-ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine?
The InChIKey is BUOIKMPFRYXGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O/c1-5-7-8-9-10-11-21(4)17(18-6-2)19-14-16-15-20(3)12-13-22-16/h5,16H,1,6-15H2,2-4H3,(H,18,19).
What are the key properties of 3-ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine?
3-ethyl-1-hept-6-enyl-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine has a molecular weight of 310.49 g/mol, XLogP of 1.96, 9 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-methylmorpholin-2-yl)methyl]guanidine is sourced from PubChem (CID 109483185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).