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

C16H34N4O — CID 111080187

IUPAC1-(3-ethoxypropyl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
SMILESCCOCCCN/C(N)=N/CC(C)(C)N1CCCC(C)C1
InChIInChI=1S/C16H34N4O/c1-5-21-11-7-9-18-15(17)19-13-16(3,4)20-10-6-8-14(2)12-20/h14H,5-13H2,1-4H3,(H3,17,18,19)
InChIKeyNFWLJVDCOSXNCU-UHFFFAOYSA-N
MW298.48 g/mol
LogP1.83
Rot. Bonds8

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

1-(3-ethoxypropyl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine (PubChem CID 111080187) has the molecular formula C16H34N4O and a molecular weight of 298.48 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
PubChem CID111080187
Molecular FormulaC16H34N4O
Molecular Weight298.48 g/mol
Exact Mass298.27
IUPAC Name1-(3-ethoxypropyl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
SMILESCCOCCCN/C(N)=N/CC(C)(C)N1CCCC(C)C1
InChIInChI=1S/C16H34N4O/c1-5-21-11-7-9-18-15(17)19-13-16(3,4)20-10-6-8-14(2)12-20/h14H,5-13H2,1-4H3,(H3,17,18,19)
InChIKeyNFWLJVDCOSXNCU-UHFFFAOYSA-N
XLogP1.83
TPSA62.88 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 ≤ 51.83
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-(4-ethoxybutyl)-3-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111946003
2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)guanidine
CID 111080175
2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111080170
1-cyclohexyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111080165
1-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111408181
1-ethyl-3-(2-methoxyethyl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 110939301
1-(3-ethoxypropyl)-2-[(2S)-2-(4-methylpiperidin-1-yl)propyl]guanidine
CID 95333142
2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111080214
1-ethyl-3-(2-methylcyclopropyl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111963363
1-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111906425
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111405931
2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(3-ethoxypropyl)guanidine
CID 111065628

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine?
The IUPAC name of 1-(3-ethoxypropyl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine (CID 111080187) is 1-(3-ethoxypropyl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine.
What is the SMILES notation for 1-(3-ethoxypropyl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine?
The canonical SMILES for 1-(3-ethoxypropyl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine is CCOCCCN/C(N)=N/CC(C)(C)N1CCCC(C)C1.
What is the InChIKey of 1-(3-ethoxypropyl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine?
The InChIKey is NFWLJVDCOSXNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-5-21-11-7-9-18-15(17)19-13-16(3,4)20-10-6-8-14(2)12-20/h14H,5-13H2,1-4H3,(H3,17,18,19).
What are the key properties of 1-(3-ethoxypropyl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine?
1-(3-ethoxypropyl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine has a molecular weight of 298.48 g/mol, XLogP of 1.83, 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-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine is sourced from PubChem (CID 111080187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).