1-ethyl-3-(3-methoxypropyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine

C16H34N4O — CID 110976653

IUPAC1-ethyl-3-(3-methoxypropyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)CN1CCCCC1)NCCCOC
InChIInChI=1S/C16H34N4O/c1-4-17-16(18-9-8-12-21-3)19-13-15(2)14-20-10-6-5-7-11-20/h15H,4-14H2,1-3H3,(H2,17,18,19)
InChIKeyBSNSRPYNRRCGHB-UHFFFAOYSA-N
MW298.47 g/mol
LogP1.70
Rot. Bonds9

About 1-ethyl-3-(3-methoxypropyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine

1-ethyl-3-(3-methoxypropyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine (PubChem CID 110976653) has the molecular formula C16H34N4O and a molecular weight of 298.47 g/mol. Its IUPAC name is 1-ethyl-3-(3-methoxypropyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-(3-methoxypropyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine
PubChem CID110976653
Molecular FormulaC16H34N4O
Molecular Weight298.47 g/mol
Exact Mass298.27
IUPAC Name1-ethyl-3-(3-methoxypropyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)CN1CCCCC1)NCCCOC
InChIInChI=1S/C16H34N4O/c1-4-17-16(18-9-8-12-21-3)19-13-15(2)14-20-10-6-5-7-11-20/h15H,4-14H2,1-3H3,(H2,17,18,19)
InChIKeyBSNSRPYNRRCGHB-UHFFFAOYSA-N
XLogP1.70
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 51.70
H-Bond Donors ≤ 52
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'}

Analyze 1-ethyl-3-(3-methoxypropyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-(3-methoxypropyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 110976383
1-(2-ethoxyethyl)-3-ethyl-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine
CID 111897085
1-ethyl-2-(2-methyl-3-piperidin-1-ylpropyl)-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111417084
1-ethyl-2-(2-methyl-3-piperidin-1-ylpropyl)-3-(2-methylsulfanylethyl)guanidine
CID 111346065
1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111407767
1-ethyl-3-(3-methylbutan-2-yl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111002635
1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111840470
1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 111148026
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111339171
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111279939
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111215044
1-ethyl-2-(3-methoxypropyl)-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 110974029

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-methoxypropyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine?
The IUPAC name of 1-ethyl-3-(3-methoxypropyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine (CID 110976653) is 1-ethyl-3-(3-methoxypropyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-3-(3-methoxypropyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine?
The canonical SMILES for 1-ethyl-3-(3-methoxypropyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine is CCN/C(=N\CC(C)CN1CCCCC1)NCCCOC.
What is the InChIKey of 1-ethyl-3-(3-methoxypropyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine?
The InChIKey is BSNSRPYNRRCGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-4-17-16(18-9-8-12-21-3)19-13-15(2)14-20-10-6-5-7-11-20/h15H,4-14H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-ethyl-3-(3-methoxypropyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine?
1-ethyl-3-(3-methoxypropyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine has a molecular weight of 298.47 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-methoxypropyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine is sourced from PubChem (CID 110976653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).