1-cyclopropyl-1-(2-methoxyethyl)-2-propan-2-ylguanidine

C10H21N3O — CID 62362797

IUPAC1-cyclopropyl-1-(2-methoxyethyl)-2-propan-2-ylguanidine
SMILESCOCCN(/C(N)=N/C(C)C)C1CC1
InChIInChI=1S/C10H21N3O/c1-8(2)12-10(11)13(6-7-14-3)9-4-5-9/h8-9H,4-7H2,1-3H3,(H2,11,12)
InChIKeyQTRXTSMUKKFHLS-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.82
Rot. Bonds5

About 1-cyclopropyl-1-(2-methoxyethyl)-2-propan-2-ylguanidine

1-cyclopropyl-1-(2-methoxyethyl)-2-propan-2-ylguanidine (PubChem CID 62362797) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2-methoxyethyl)-2-propan-2-ylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-1-(2-methoxyethyl)-2-propan-2-ylguanidine
PubChem CID62362797
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-cyclopropyl-1-(2-methoxyethyl)-2-propan-2-ylguanidine
SMILESCOCCN(/C(N)=N/C(C)C)C1CC1
InChIInChI=1S/C10H21N3O/c1-8(2)12-10(11)13(6-7-14-3)9-4-5-9/h8-9H,4-7H2,1-3H3,(H2,11,12)
InChIKeyQTRXTSMUKKFHLS-UHFFFAOYSA-N
XLogP0.82
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-cyclopropyl-N-(2-methoxyethyl)butanamide
CID 60947245
3-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 61451610
3-amino-N-cyclopropyl-2-methoxy-N-(2-methoxyethyl)propanamide
CID 106112093
6-amino-N-cyclopropyl-N-(2-methoxyethyl)-2-methylheptanamide
CID 65292086
3-[cyclopropyl(2-methoxyethyl)amino]butanethioamide
CID 61451186
2-amino-N-cyclopropyl-N-(2-methoxyethyl)pentanamide
CID 60947244
2-[cyclopropyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 61455785
N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide
CID 76921771
N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide
CID 80597461
N-cyclopropyl-N-(2-methoxyethyl)pyrrolidine-1-carboxamide
CID 115589086
2-cyclohexyl-1-(2-methoxyethyl)-1-propan-2-ylguanidine
CID 82951287
3-[[cyclopropyl(2-methoxyethyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 61452623

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2-methoxyethyl)-2-propan-2-ylguanidine?
The IUPAC name of 1-cyclopropyl-1-(2-methoxyethyl)-2-propan-2-ylguanidine (CID 62362797) is 1-cyclopropyl-1-(2-methoxyethyl)-2-propan-2-ylguanidine.
What is the SMILES notation for 1-cyclopropyl-1-(2-methoxyethyl)-2-propan-2-ylguanidine?
The canonical SMILES for 1-cyclopropyl-1-(2-methoxyethyl)-2-propan-2-ylguanidine is COCCN(/C(N)=N/C(C)C)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(2-methoxyethyl)-2-propan-2-ylguanidine?
The InChIKey is QTRXTSMUKKFHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(2)12-10(11)13(6-7-14-3)9-4-5-9/h8-9H,4-7H2,1-3H3,(H2,11,12).
What are the key properties of 1-cyclopropyl-1-(2-methoxyethyl)-2-propan-2-ylguanidine?
1-cyclopropyl-1-(2-methoxyethyl)-2-propan-2-ylguanidine has a molecular weight of 199.30 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2-methoxyethyl)-2-propan-2-ylguanidine is sourced from PubChem (CID 62362797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).