1-(1-cyclopropylethyl)-3-(diaminomethylidene)-1-(2-methoxyethyl)guanidine

C10H21N5O — CID 83032305

IUPAC1-(1-cyclopropylethyl)-3-(diaminomethylidene)-1-(2-methoxyethyl)guanidine
SMILES[H]/N=C(\N=C(N)N)N(CCOC)C(C)C1CC1
InChIInChI=1S/C10H21N5O/c1-7(8-3-4-8)15(5-6-16-2)10(13)14-9(11)12/h7-8H,3-6H2,1-2H3,(H5,11,12,13,14)
InChIKeyCIBWPLXMIZUPFV-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.06
Rot. Bonds5

About 1-(1-cyclopropylethyl)-3-(diaminomethylidene)-1-(2-methoxyethyl)guanidine

1-(1-cyclopropylethyl)-3-(diaminomethylidene)-1-(2-methoxyethyl)guanidine (PubChem CID 83032305) has the molecular formula C10H21N5O and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-3-(diaminomethylidene)-1-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-3-(diaminomethylidene)-1-(2-methoxyethyl)guanidine
PubChem CID83032305
Molecular FormulaC10H21N5O
Molecular Weight227.31 g/mol
Exact Mass227.17
IUPAC Name1-(1-cyclopropylethyl)-3-(diaminomethylidene)-1-(2-methoxyethyl)guanidine
SMILES[H]/N=C(\N=C(N)N)N(CCOC)C(C)C1CC1
InChIInChI=1S/C10H21N5O/c1-7(8-3-4-8)15(5-6-16-2)10(13)14-9(11)12/h7-8H,3-6H2,1-2H3,(H5,11,12,13,14)
InChIKeyCIBWPLXMIZUPFV-UHFFFAOYSA-N
XLogP-0.06
TPSA100.72 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-3-(diaminomethylidene)-1-(2-methoxyethyl)guanidine?
The IUPAC name of 1-(1-cyclopropylethyl)-3-(diaminomethylidene)-1-(2-methoxyethyl)guanidine (CID 83032305) is 1-(1-cyclopropylethyl)-3-(diaminomethylidene)-1-(2-methoxyethyl)guanidine.
What is the SMILES notation for 1-(1-cyclopropylethyl)-3-(diaminomethylidene)-1-(2-methoxyethyl)guanidine?
The canonical SMILES for 1-(1-cyclopropylethyl)-3-(diaminomethylidene)-1-(2-methoxyethyl)guanidine is [H]/N=C(\N=C(N)N)N(CCOC)C(C)C1CC1.
What is the InChIKey of 1-(1-cyclopropylethyl)-3-(diaminomethylidene)-1-(2-methoxyethyl)guanidine?
The InChIKey is CIBWPLXMIZUPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O/c1-7(8-3-4-8)15(5-6-16-2)10(13)14-9(11)12/h7-8H,3-6H2,1-2H3,(H5,11,12,13,14).
What are the key properties of 1-(1-cyclopropylethyl)-3-(diaminomethylidene)-1-(2-methoxyethyl)guanidine?
1-(1-cyclopropylethyl)-3-(diaminomethylidene)-1-(2-methoxyethyl)guanidine has a molecular weight of 227.31 g/mol, XLogP of -0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-3-(diaminomethylidene)-1-(2-methoxyethyl)guanidine is sourced from PubChem (CID 83032305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).