1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine

C19H38N4O2 — CID 111316586

IUPAC1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
SMILESCCN/C(=N\CCCOCC1CCCO1)NC1CCN(C(C)C)CC1
InChIInChI=1S/C19H38N4O2/c1-4-20-19(22-17-8-11-23(12-9-17)16(2)3)21-10-6-13-24-15-18-7-5-14-25-18/h16-18H,4-15H2,1-3H3,(H2,20,21,22)
InChIKeyHXQROCRAGNGPST-UHFFFAOYSA-N
MW354.54 g/mol
LogP2.00
Rot. Bonds9

About 1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine

1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine (PubChem CID 111316586) has the molecular formula C19H38N4O2 and a molecular weight of 354.54 g/mol. Its IUPAC name is 1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
PubChem CID111316586
Molecular FormulaC19H38N4O2
Molecular Weight354.54 g/mol
Exact Mass354.30
IUPAC Name1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
SMILESCCN/C(=N\CCCOCC1CCCO1)NC1CCN(C(C)C)CC1
InChIInChI=1S/C19H38N4O2/c1-4-20-19(22-17-8-11-23(12-9-17)16(2)3)21-10-6-13-24-15-18-7-5-14-25-18/h16-18H,4-15H2,1-3H3,(H2,20,21,22)
InChIKeyHXQROCRAGNGPST-UHFFFAOYSA-N
XLogP2.00
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-cyclopentyl-3-ethyl-2-[2-(oxolan-2-ylmethoxy)ethyl]guanidine
CID 111779625
1-[(2S)-butan-2-yl]-3-ethyl-2-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]guanidine
CID 95573142
2-(3-cyclohexyloxypropyl)-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111318972
1-ethyl-3-(4-methylpentyl)-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111408774
2-(2-ethoxyethyl)-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318357
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[2-(oxolan-2-ylmethoxy)ethyl]guanidine
CID 111548891
1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-(3-pyrrolidin-1-ylpropyl)guanidine
CID 111409361
1-(3-ethoxypropyl)-3-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111222112
1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-propylguanidine
CID 111318542
1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111316405
1-[2-(cyclopropylmethoxy)ethyl]-3-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111768913
2-[3-(cyclopropylmethoxy)propyl]-1-ethyl-3-[2-(oxolan-2-ylmethoxy)ethyl]guanidine
CID 111786839

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine?
The IUPAC name of 1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine (CID 111316586) is 1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine.
What is the SMILES notation for 1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine?
The canonical SMILES for 1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine is CCN/C(=N\CCCOCC1CCCO1)NC1CCN(C(C)C)CC1.
What is the InChIKey of 1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine?
The InChIKey is HXQROCRAGNGPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O2/c1-4-20-19(22-17-8-11-23(12-9-17)16(2)3)21-10-6-13-24-15-18-7-5-14-25-18/h16-18H,4-15H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine?
1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine has a molecular weight of 354.54 g/mol, XLogP of 2.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine is sourced from PubChem (CID 111316586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).