1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-methylguanidine

C9H21N3O2 — CID 62358416

IUPAC1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-methylguanidine
SMILESC/N=C(\N)N(CCOC)C(C)COC
InChIInChI=1S/C9H21N3O2/c1-8(7-14-4)12(5-6-13-3)9(10)11-2/h8H,5-7H2,1-4H3,(H2,10,11)
InChIKeyKRHPSGBQTAMCBG-UHFFFAOYSA-N
MW203.29 g/mol
LogP-0.09
Rot. Bonds6

About 1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-methylguanidine

1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-methylguanidine (PubChem CID 62358416) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-methylguanidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-methylguanidine
PubChem CID62358416
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-methylguanidine
SMILESC/N=C(\N)N(CCOC)C(C)COC
InChIInChI=1S/C9H21N3O2/c1-8(7-14-4)12(5-6-13-3)9(10)11-2/h8H,5-7H2,1-4H3,(H2,10,11)
InChIKeyKRHPSGBQTAMCBG-UHFFFAOYSA-N
XLogP-0.09
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-methylguanidine?
The IUPAC name of 1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-methylguanidine (CID 62358416) is 1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-methylguanidine.
What is the SMILES notation for 1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-methylguanidine?
The canonical SMILES for 1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-methylguanidine is C/N=C(\N)N(CCOC)C(C)COC.
What is the InChIKey of 1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-methylguanidine?
The InChIKey is KRHPSGBQTAMCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-8(7-14-4)12(5-6-13-3)9(10)11-2/h8H,5-7H2,1-4H3,(H2,10,11).
What are the key properties of 1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-methylguanidine?
1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-methylguanidine has a molecular weight of 203.29 g/mol, XLogP of -0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-methylguanidine is sourced from PubChem (CID 62358416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).