1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(oxolan-2-ylmethyl)guanidine

C17H34N4O — CID 111138631

IUPAC1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(oxolan-2-ylmethyl)guanidine
SMILESCCN/C(=N\CC(C)N1CCCCC1C)NCC1CCCO1
InChIInChI=1S/C17H34N4O/c1-4-18-17(20-13-16-9-7-11-22-16)19-12-15(3)21-10-6-5-8-14(21)2/h14-16H,4-13H2,1-3H3,(H2,18,19,20)
InChIKeyFGADCHSDRDGDBI-UHFFFAOYSA-N
MW310.49 g/mol
LogP1.98
Rot. Bonds6

About 1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(oxolan-2-ylmethyl)guanidine

1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(oxolan-2-ylmethyl)guanidine (PubChem CID 111138631) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is 1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(oxolan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(oxolan-2-ylmethyl)guanidine
PubChem CID111138631
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC Name1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(oxolan-2-ylmethyl)guanidine
SMILESCCN/C(=N\CC(C)N1CCCCC1C)NCC1CCCO1
InChIInChI=1S/C17H34N4O/c1-4-18-17(20-13-16-9-7-11-22-16)19-12-15(3)21-10-6-5-8-14(21)2/h14-16H,4-13H2,1-3H3,(H2,18,19,20)
InChIKeyFGADCHSDRDGDBI-UHFFFAOYSA-N
XLogP1.98
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125898
1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111187385
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111189500
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111136538
2-(cyclopropylmethyl)-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 111137493
N-ethyl-N'-[2-(2-methylpiperidin-1-yl)propyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide
CID 119144724
1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111138740
1-ethyl-2-[2-(3-methylmorpholin-4-yl)propyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111839177
1-ethyl-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111137954
1-ethyl-2-[2-(4-fluorophenoxy)propyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111497295
2-[2-(4-chlorophenoxy)propyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 111510678
2-(2-bromoprop-2-enyl)-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 119130003

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(oxolan-2-ylmethyl)guanidine?
The IUPAC name of 1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(oxolan-2-ylmethyl)guanidine (CID 111138631) is 1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(oxolan-2-ylmethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(oxolan-2-ylmethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(oxolan-2-ylmethyl)guanidine is CCN/C(=N\CC(C)N1CCCCC1C)NCC1CCCO1.
What is the InChIKey of 1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(oxolan-2-ylmethyl)guanidine?
The InChIKey is FGADCHSDRDGDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O/c1-4-18-17(20-13-16-9-7-11-22-16)19-12-15(3)21-10-6-5-8-14(21)2/h14-16H,4-13H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(oxolan-2-ylmethyl)guanidine?
1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(oxolan-2-ylmethyl)guanidine has a molecular weight of 310.49 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(2-methylpiperidin-1-yl)propyl]-3-(oxolan-2-ylmethyl)guanidine is sourced from PubChem (CID 111138631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).