1-(3,3-diethoxypropyl)-2,3-dimethylguanidine

C10H23N3O2 — CID 100673098

IUPAC1-(3,3-diethoxypropyl)-2,3-dimethylguanidine
SMILESCCOC(CCN/C(=N/C)NC)OCC
InChIInChI=1S/C10H23N3O2/c1-5-14-9(15-6-2)7-8-13-10(11-3)12-4/h9H,5-8H2,1-4H3,(H2,11,12,13)
InChIKeyWSILXHKZFIGJHN-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.57
Rot. Bonds7

About 1-(3,3-diethoxypropyl)-2,3-dimethylguanidine

1-(3,3-diethoxypropyl)-2,3-dimethylguanidine (PubChem CID 100673098) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(3,3-diethoxypropyl)-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-(3,3-diethoxypropyl)-2,3-dimethylguanidine
PubChem CID100673098
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name1-(3,3-diethoxypropyl)-2,3-dimethylguanidine
SMILESCCOC(CCN/C(=N/C)NC)OCC
InChIInChI=1S/C10H23N3O2/c1-5-14-9(15-6-2)7-8-13-10(11-3)12-4/h9H,5-8H2,1-4H3,(H2,11,12,13)
InChIKeyWSILXHKZFIGJHN-UHFFFAOYSA-N
XLogP0.57
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

CID 170637664
CID 170637664
3,3-diethoxypropylcarbamic acid
CID 21075732
3,3-diethoxypropylthiourea
CID 59818330
1-[(3R)-3-ethoxy-4-methylpentyl]-3-ethyl-2-methylguanidine
CID 97220766
1-(2-hydroxyethyl)-2,3-dimethylguanidine
CID 22977239
N-(3,3-diethoxypropyl)-3,3-diethoxypropan-1-amine
CID 88541962
1-(3-ethoxy-4-methylpentyl)-2-methyl-3-(3-propan-2-yloxypropyl)guanidine
CID 111716960
1-(3-cyclopentyl-3-ethoxypropyl)-2-methyl-3-(2-methylsulfanylethyl)guanidine
CID 111967571
1-(3-butoxypropyl)-2,3-dimethylguanidine
CID 110914191
1-cyclohexyl-3-(3-ethoxy-4-methylpentyl)-2-methylguanidine;hydroiodide
CID 111546596
1-(3-ethoxy-4-methylpentyl)-3-(2-ethylsulfonylethyl)-2-methylguanidine;hydroiodide
CID 111718491
1-(3-ethoxy-4-methylpentyl)-2-methyl-3-(2-methylsulfonylethyl)guanidine
CID 111716954

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diethoxypropyl)-2,3-dimethylguanidine?
The IUPAC name of 1-(3,3-diethoxypropyl)-2,3-dimethylguanidine (CID 100673098) is 1-(3,3-diethoxypropyl)-2,3-dimethylguanidine.
What is the SMILES notation for 1-(3,3-diethoxypropyl)-2,3-dimethylguanidine?
The canonical SMILES for 1-(3,3-diethoxypropyl)-2,3-dimethylguanidine is CCOC(CCN/C(=N/C)NC)OCC.
What is the InChIKey of 1-(3,3-diethoxypropyl)-2,3-dimethylguanidine?
The InChIKey is WSILXHKZFIGJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-5-14-9(15-6-2)7-8-13-10(11-3)12-4/h9H,5-8H2,1-4H3,(H2,11,12,13).
What are the key properties of 1-(3,3-diethoxypropyl)-2,3-dimethylguanidine?
1-(3,3-diethoxypropyl)-2,3-dimethylguanidine has a molecular weight of 217.31 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diethoxypropyl)-2,3-dimethylguanidine is sourced from PubChem (CID 100673098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).