3-amino-2-cyclopropyl-1,1-bis(2-methoxyethyl)guanidine

C10H22N4O2 — CID 104885359

IUPAC3-amino-2-cyclopropyl-1,1-bis(2-methoxyethyl)guanidine
SMILESCOCCN(CCOC)/C(=N/C1CC1)NN
InChIInChI=1S/C10H22N4O2/c1-15-7-5-14(6-8-16-2)10(13-11)12-9-3-4-9/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyYUBLQONSFAGUCS-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.44
Rot. Bonds7

About 3-amino-2-cyclopropyl-1,1-bis(2-methoxyethyl)guanidine

3-amino-2-cyclopropyl-1,1-bis(2-methoxyethyl)guanidine (PubChem CID 104885359) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-amino-2-cyclopropyl-1,1-bis(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name3-amino-2-cyclopropyl-1,1-bis(2-methoxyethyl)guanidine
PubChem CID104885359
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC Name3-amino-2-cyclopropyl-1,1-bis(2-methoxyethyl)guanidine
SMILESCOCCN(CCOC)/C(=N/C1CC1)NN
InChIInChI=1S/C10H22N4O2/c1-15-7-5-14(6-8-16-2)10(13-11)12-9-3-4-9/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyYUBLQONSFAGUCS-UHFFFAOYSA-N
XLogP-0.44
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclopropyl-1,1-bis(2-methoxyethyl)guanidine?
The IUPAC name of 3-amino-2-cyclopropyl-1,1-bis(2-methoxyethyl)guanidine (CID 104885359) is 3-amino-2-cyclopropyl-1,1-bis(2-methoxyethyl)guanidine.
What is the SMILES notation for 3-amino-2-cyclopropyl-1,1-bis(2-methoxyethyl)guanidine?
The canonical SMILES for 3-amino-2-cyclopropyl-1,1-bis(2-methoxyethyl)guanidine is COCCN(CCOC)/C(=N/C1CC1)NN.
What is the InChIKey of 3-amino-2-cyclopropyl-1,1-bis(2-methoxyethyl)guanidine?
The InChIKey is YUBLQONSFAGUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-15-7-5-14(6-8-16-2)10(13-11)12-9-3-4-9/h9H,3-8,11H2,1-2H3,(H,12,13).
What are the key properties of 3-amino-2-cyclopropyl-1,1-bis(2-methoxyethyl)guanidine?
3-amino-2-cyclopropyl-1,1-bis(2-methoxyethyl)guanidine has a molecular weight of 230.31 g/mol, XLogP of -0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclopropyl-1,1-bis(2-methoxyethyl)guanidine is sourced from PubChem (CID 104885359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).