1-(3-ethoxypropyl)-3-(1-methoxypropan-2-yl)-2-(oxolan-2-ylmethyl)guanidine

C15H31N3O3 — CID 75534717

IUPAC1-(3-ethoxypropyl)-3-(1-methoxypropan-2-yl)-2-(oxolan-2-ylmethyl)guanidine
SMILESCCOCCCN/C(=N\CC1CCCO1)NC(C)COC
InChIInChI=1S/C15H31N3O3/c1-4-20-9-6-8-16-15(18-13(2)12-19-3)17-11-14-7-5-10-21-14/h13-14H,4-12H2,1-3H3,(H2,16,17,18)
InChIKeyXODFHSVWJICIFC-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.16
Rot. Bonds10

About 1-(3-ethoxypropyl)-3-(1-methoxypropan-2-yl)-2-(oxolan-2-ylmethyl)guanidine

1-(3-ethoxypropyl)-3-(1-methoxypropan-2-yl)-2-(oxolan-2-ylmethyl)guanidine (PubChem CID 75534717) has the molecular formula C15H31N3O3 and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-(1-methoxypropan-2-yl)-2-(oxolan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-(1-methoxypropan-2-yl)-2-(oxolan-2-ylmethyl)guanidine
PubChem CID75534717
Molecular FormulaC15H31N3O3
Molecular Weight301.43 g/mol
Exact Mass301.24
IUPAC Name1-(3-ethoxypropyl)-3-(1-methoxypropan-2-yl)-2-(oxolan-2-ylmethyl)guanidine
SMILESCCOCCCN/C(=N\CC1CCCO1)NC(C)COC
InChIInChI=1S/C15H31N3O3/c1-4-20-9-6-8-16-15(18-13(2)12-19-3)17-11-14-7-5-10-21-14/h13-14H,4-12H2,1-3H3,(H2,16,17,18)
InChIKeyXODFHSVWJICIFC-UHFFFAOYSA-N
XLogP1.16
TPSA64.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.16
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-amino-3-(3-ethoxypropyl)-2-(oxolan-2-ylmethyl)guanidine
CID 104883123
1-ethyl-3-(2-methoxyethyl)-2-(oxolan-2-ylmethyl)guanidine
CID 110940944
1-ethyl-3-(4-methylpentyl)-2-(oxolan-2-ylmethyl)guanidine
CID 111137863
1-(3-ethoxypropyl)-3-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111222112
1-[(2S)-butan-2-yl]-3-ethyl-2-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]guanidine
CID 95573142
1-(4-ethoxybutyl)-3-[2-(furan-2-yl)ethyl]-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111651785
1-[3-[di(propan-2-yl)amino]propyl]-3-ethyl-2-(oxolan-2-ylmethyl)guanidine
CID 111692070
2-[[(1-methoxypropan-2-ylamino)-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111906865
1-(2-ethoxyethyl)-3-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111407644
1-[3-[di(propan-2-yl)amino]propyl]-3-ethyl-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111692069
2-methyl-1-[3-(2-methylpropoxy)propyl]-3-[2-(oxolan-2-yl)ethyl]guanidine
CID 111400751
methyl 5-[[N-ethyl-N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]pentanoate;hydroiodide
CID 111139630

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-(1-methoxypropan-2-yl)-2-(oxolan-2-ylmethyl)guanidine?
The IUPAC name of 1-(3-ethoxypropyl)-3-(1-methoxypropan-2-yl)-2-(oxolan-2-ylmethyl)guanidine (CID 75534717) is 1-(3-ethoxypropyl)-3-(1-methoxypropan-2-yl)-2-(oxolan-2-ylmethyl)guanidine.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-(1-methoxypropan-2-yl)-2-(oxolan-2-ylmethyl)guanidine?
The canonical SMILES for 1-(3-ethoxypropyl)-3-(1-methoxypropan-2-yl)-2-(oxolan-2-ylmethyl)guanidine is CCOCCCN/C(=N\CC1CCCO1)NC(C)COC.
What is the InChIKey of 1-(3-ethoxypropyl)-3-(1-methoxypropan-2-yl)-2-(oxolan-2-ylmethyl)guanidine?
The InChIKey is XODFHSVWJICIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3/c1-4-20-9-6-8-16-15(18-13(2)12-19-3)17-11-14-7-5-10-21-14/h13-14H,4-12H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-(3-ethoxypropyl)-3-(1-methoxypropan-2-yl)-2-(oxolan-2-ylmethyl)guanidine?
1-(3-ethoxypropyl)-3-(1-methoxypropan-2-yl)-2-(oxolan-2-ylmethyl)guanidine has a molecular weight of 301.43 g/mol, XLogP of 1.16, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-(1-methoxypropan-2-yl)-2-(oxolan-2-ylmethyl)guanidine is sourced from PubChem (CID 75534717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).