2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine

C16H34N4O — CID 111224525

IUPAC2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
SMILESCCN/C(=N\CCCOCC)NCCN1CCCCC1C
InChIInChI=1S/C16H34N4O/c1-4-17-16(18-10-8-14-21-5-2)19-11-13-20-12-7-6-9-15(20)3/h15H,4-14H2,1-3H3,(H2,17,18,19)
InChIKeyHPYQWXGNPNFWHF-UHFFFAOYSA-N
MW298.47 g/mol
LogP1.84
Rot. Bonds9

About 2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine

2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine (PubChem CID 111224525) has the molecular formula C16H34N4O and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
PubChem CID111224525
Molecular FormulaC16H34N4O
Molecular Weight298.47 g/mol
Exact Mass298.27
IUPAC Name2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
SMILESCCN/C(=N\CCCOCC)NCCN1CCCCC1C
InChIInChI=1S/C16H34N4O/c1-4-17-16(18-10-8-14-21-5-2)19-11-13-20-12-7-6-9-15(20)3/h15H,4-14H2,1-3H3,(H2,17,18,19)
InChIKeyHPYQWXGNPNFWHF-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
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'}

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Related Compounds

1-ethyl-2-(3-methoxypropyl)-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 110973782
2-(3-ethoxypropyl)-1-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 111056765
2-[3-(cyclopropylmethoxy)propyl]-1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111371110
1-ethyl-3-(2-methoxyethyl)-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 110940002
1-ethyl-3-(2-methoxyethyl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 110941905
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111370345
1-ethyl-3-(2-methoxyethyl)-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 110940001
1-ethyl-3-(5-methoxypentyl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111371594
1-(2-cyclopropylethyl)-3-ethyl-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111604744
1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111905288
1-ethyl-2-[3-(2-methylpiperidin-1-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111778815
1-ethyl-2-[4-(2-methylpiperidin-1-yl)butyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111187646

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine?
The IUPAC name of 2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine (CID 111224525) is 2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine.
What is the SMILES notation for 2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine?
The canonical SMILES for 2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine is CCN/C(=N\CCCOCC)NCCN1CCCCC1C.
What is the InChIKey of 2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine?
The InChIKey is HPYQWXGNPNFWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-4-17-16(18-10-8-14-21-5-2)19-11-13-20-12-7-6-9-15(20)3/h15H,4-14H2,1-3H3,(H2,17,18,19).
What are the key properties of 2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine?
2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine has a molecular weight of 298.47 g/mol, XLogP of 1.84, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine is sourced from PubChem (CID 111224525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).