3-ethyl-1-methyl-2-[4-(4-methylpiperidin-1-yl)butyl]-1-(oxolan-3-ylmethyl)guanidine

C19H38N4O — CID 109386933

IUPAC3-ethyl-1-methyl-2-[4-(4-methylpiperidin-1-yl)butyl]-1-(oxolan-3-ylmethyl)guanidine
SMILESCCN/C(=N\CCCCN1CCC(C)CC1)N(C)CC1CCOC1
InChIInChI=1S/C19H38N4O/c1-4-20-19(22(3)15-18-9-14-24-16-18)21-10-5-6-11-23-12-7-17(2)8-13-23/h17-18H,4-16H2,1-3H3,(H,20,21)
InChIKeyJEDSMIHYNFBKTN-UHFFFAOYSA-N
MW338.54 g/mol
LogP2.43
Rot. Bonds8

About 3-ethyl-1-methyl-2-[4-(4-methylpiperidin-1-yl)butyl]-1-(oxolan-3-ylmethyl)guanidine

3-ethyl-1-methyl-2-[4-(4-methylpiperidin-1-yl)butyl]-1-(oxolan-3-ylmethyl)guanidine (PubChem CID 109386933) has the molecular formula C19H38N4O and a molecular weight of 338.54 g/mol. Its IUPAC name is 3-ethyl-1-methyl-2-[4-(4-methylpiperidin-1-yl)butyl]-1-(oxolan-3-ylmethyl)guanidine.

Molecular Properties

Compound Name3-ethyl-1-methyl-2-[4-(4-methylpiperidin-1-yl)butyl]-1-(oxolan-3-ylmethyl)guanidine
PubChem CID109386933
Molecular FormulaC19H38N4O
Molecular Weight338.54 g/mol
Exact Mass338.30
IUPAC Name3-ethyl-1-methyl-2-[4-(4-methylpiperidin-1-yl)butyl]-1-(oxolan-3-ylmethyl)guanidine
SMILESCCN/C(=N\CCCCN1CCC(C)CC1)N(C)CC1CCOC1
InChIInChI=1S/C19H38N4O/c1-4-20-19(22(3)15-18-9-14-24-16-18)21-10-5-6-11-23-12-7-17(2)8-13-23/h17-18H,4-16H2,1-3H3,(H,20,21)
InChIKeyJEDSMIHYNFBKTN-UHFFFAOYSA-N
XLogP2.43
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 52.43
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'}

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Related Compounds

3-ethyl-1-methyl-2-[4-(4-methylpiperidin-1-yl)butyl]-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109386932
2-butyl-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109383682
2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109385730
2-[7-(dimethylamino)heptyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109385719
3-ethyl-2-[4-(2-methoxyethoxy)butyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109386877
methyl 5-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]pentanoate
CID 109386347
3-ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109383389
3-ethyl-1-methyl-2-(3-methylsulfanylpropyl)-1-(oxolan-3-ylmethyl)guanidine
CID 109382682
1-butyl-3-ethyl-1-methyl-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111159466
3-ethyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109383396
2-(3-ethoxypropyl)-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109383707
1-[3-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 109384264

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-2-[4-(4-methylpiperidin-1-yl)butyl]-1-(oxolan-3-ylmethyl)guanidine?
The IUPAC name of 3-ethyl-1-methyl-2-[4-(4-methylpiperidin-1-yl)butyl]-1-(oxolan-3-ylmethyl)guanidine (CID 109386933) is 3-ethyl-1-methyl-2-[4-(4-methylpiperidin-1-yl)butyl]-1-(oxolan-3-ylmethyl)guanidine.
What is the SMILES notation for 3-ethyl-1-methyl-2-[4-(4-methylpiperidin-1-yl)butyl]-1-(oxolan-3-ylmethyl)guanidine?
The canonical SMILES for 3-ethyl-1-methyl-2-[4-(4-methylpiperidin-1-yl)butyl]-1-(oxolan-3-ylmethyl)guanidine is CCN/C(=N\CCCCN1CCC(C)CC1)N(C)CC1CCOC1.
What is the InChIKey of 3-ethyl-1-methyl-2-[4-(4-methylpiperidin-1-yl)butyl]-1-(oxolan-3-ylmethyl)guanidine?
The InChIKey is JEDSMIHYNFBKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O/c1-4-20-19(22(3)15-18-9-14-24-16-18)21-10-5-6-11-23-12-7-17(2)8-13-23/h17-18H,4-16H2,1-3H3,(H,20,21).
What are the key properties of 3-ethyl-1-methyl-2-[4-(4-methylpiperidin-1-yl)butyl]-1-(oxolan-3-ylmethyl)guanidine?
3-ethyl-1-methyl-2-[4-(4-methylpiperidin-1-yl)butyl]-1-(oxolan-3-ylmethyl)guanidine has a molecular weight of 338.54 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-2-[4-(4-methylpiperidin-1-yl)butyl]-1-(oxolan-3-ylmethyl)guanidine is sourced from PubChem (CID 109386933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).