1-(3-ethoxypropyl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine

C16H34N4O — CID 111224551

IUPAC1-(3-ethoxypropyl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine
SMILESCCOCCCN/C(=N\C)NCC(C)N1CCC(C)CC1
InChIInChI=1S/C16H34N4O/c1-5-21-12-6-9-18-16(17-4)19-13-15(3)20-10-7-14(2)8-11-20/h14-15H,5-13H2,1-4H3,(H2,17,18,19)
InChIKeyVLXAAMHLIMDWHJ-UHFFFAOYSA-N
MW298.48 g/mol
LogP1.70
Rot. Bonds8

About 1-(3-ethoxypropyl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine

1-(3-ethoxypropyl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine (PubChem CID 111224551) has the molecular formula C16H34N4O and a molecular weight of 298.48 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine
PubChem CID111224551
Molecular FormulaC16H34N4O
Molecular Weight298.48 g/mol
Exact Mass298.27
IUPAC Name1-(3-ethoxypropyl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine
SMILESCCOCCCN/C(=N\C)NCC(C)N1CCC(C)CC1
InChIInChI=1S/C16H34N4O/c1-5-21-12-6-9-18-16(17-4)19-13-15(3)20-10-7-14(2)8-11-20/h14-15H,5-13H2,1-4H3,(H2,17,18,19)
InChIKeyVLXAAMHLIMDWHJ-UHFFFAOYSA-N
XLogP1.70
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
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'}

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Related Compounds

1-(3-ethoxypropyl)-2-methyl-3-[2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111221785
2-methyl-1-[2-(4-methylpiperidin-1-yl)propyl]-3-pentylguanidine;hydroiodide
CID 111129072
1-(4-ethoxybutyl)-2-methyl-3-[2-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111944840
1-(2-ethoxyethyl)-2-methyl-3-[2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111894295
1-(3-ethoxypropyl)-2-methyl-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine
CID 111836401
1-[2-(4-ethylpiperazin-1-yl)propyl]-2-methyl-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111387258
tert-butyl N-[2-[[N'-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]carbamate
CID 111883887
1-[3-(cyclopropylmethoxy)propyl]-2-methyl-3-[2-(4-methylpiperazin-1-yl)propyl]guanidine
CID 111392989
1-(3-ethoxypropyl)-2-[(2S)-2-(4-methylpiperidin-1-yl)propyl]guanidine
CID 95333142
2-methyl-1-[2-(4-methylpiperidin-1-yl)propyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125066
1-(1-methoxypropan-2-yl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111237337
1-(3-ethoxypropyl)-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111317829

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine?
The IUPAC name of 1-(3-ethoxypropyl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine (CID 111224551) is 1-(3-ethoxypropyl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine.
What is the SMILES notation for 1-(3-ethoxypropyl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine?
The canonical SMILES for 1-(3-ethoxypropyl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine is CCOCCCN/C(=N\C)NCC(C)N1CCC(C)CC1.
What is the InChIKey of 1-(3-ethoxypropyl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine?
The InChIKey is VLXAAMHLIMDWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-5-21-12-6-9-18-16(17-4)19-13-15(3)20-10-7-14(2)8-11-20/h14-15H,5-13H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-(3-ethoxypropyl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine?
1-(3-ethoxypropyl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine has a molecular weight of 298.48 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine is sourced from PubChem (CID 111224551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).