3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine

C10H22N4O — CID 104882125

IUPAC3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine
SMILESC/N=C(\NN)N(CCOC)C(C)C1CC1
InChIInChI=1S/C10H22N4O/c1-8(9-4-5-9)14(6-7-15-3)10(12-2)13-11/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyWQOQOGMZFXTIGD-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.18
Rot. Bonds5

About 3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine

3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine (PubChem CID 104882125) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine.

Molecular Properties

Compound Name3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine
PubChem CID104882125
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine
SMILESC/N=C(\NN)N(CCOC)C(C)C1CC1
InChIInChI=1S/C10H22N4O/c1-8(9-4-5-9)14(6-7-15-3)10(12-2)13-11/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyWQOQOGMZFXTIGD-UHFFFAOYSA-N
XLogP0.18
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1-Cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine
CID 55063812
1-(1-Cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine
CID 62358419
1-(1-Cyclopropylethyl)-2-ethyl-1-(2-methoxyethyl)guanidine
CID 62361696
1-(1-Cyclopropylethyl)-1-(2-methoxyethyl)-2-propylguanidine
CID 62361697
1-(1-Cyclopropylethyl)-1-(2-methoxyethyl)-2-propan-2-ylguanidine
CID 62361698
2-Cyclopropyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine
CID 62361920
2-Tert-butyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine
CID 62361921
2-Amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)guanidine
CID 77054010
1-(1-Cyclopropylethyl)-3-(diaminomethylidene)-1-(2-methoxyethyl)guanidine
CID 83032305
N-amino-N'-cyclopropyl-3-methoxy-4-methylpiperidine-1-carboximidamide
CID 102972030
3-Amino-1-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine
CID 104882063
3-Amino-1-(2-methoxyethyl)-2-methyl-1-(2-methylpropyl)guanidine
CID 104882066

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine?
The IUPAC name of 3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine (CID 104882125) is 3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine.
What is the SMILES notation for 3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine?
The canonical SMILES for 3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine is C/N=C(\NN)N(CCOC)C(C)C1CC1.
What is the InChIKey of 3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine?
The InChIKey is WQOQOGMZFXTIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-8(9-4-5-9)14(6-7-15-3)10(12-2)13-11/h8-9H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of 3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine?
3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine has a molecular weight of 214.31 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine is sourced from PubChem (CID 104882125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).