2-(3-amino-2-iminoimidazolidin-1-yl)-1,1-di(propan-2-yl)guanidine

C10H23N7 — CID 57115864

IUPAC2-(3-amino-2-iminoimidazolidin-1-yl)-1,1-di(propan-2-yl)guanidine
SMILES[H]/N=C1/N(N)CCN1N=C(N)N(C(C)C)C(C)C
InChIInChI=1S/C10H23N7/c1-7(2)17(8(3)4)9(11)14-16-6-5-15(13)10(16)12/h7-8,12H,5-6,13H2,1-4H3,(H2,11,14)/b12-10-
InChIKeyYEGXSZKLYNSOGH-BENRWUELSA-N
MW241.34 g/mol
LogP-0.24
Rot. Bonds3

About 2-(3-amino-2-iminoimidazolidin-1-yl)-1,1-di(propan-2-yl)guanidine

2-(3-amino-2-iminoimidazolidin-1-yl)-1,1-di(propan-2-yl)guanidine (PubChem CID 57115864) has the molecular formula C10H23N7 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-(3-amino-2-iminoimidazolidin-1-yl)-1,1-di(propan-2-yl)guanidine.

Molecular Properties

Compound Name2-(3-amino-2-iminoimidazolidin-1-yl)-1,1-di(propan-2-yl)guanidine
PubChem CID57115864
Molecular FormulaC10H23N7
Molecular Weight241.34 g/mol
Exact Mass241.20
IUPAC Name2-(3-amino-2-iminoimidazolidin-1-yl)-1,1-di(propan-2-yl)guanidine
SMILES[H]/N=C1/N(N)CCN1N=C(N)N(C(C)C)C(C)C
InChIInChI=1S/C10H23N7/c1-7(2)17(8(3)4)9(11)14-16-6-5-15(13)10(16)12/h7-8,12H,5-6,13H2,1-4H3,(H2,11,14)/b12-10-
InChIKeyYEGXSZKLYNSOGH-BENRWUELSA-N
XLogP-0.24
TPSA97.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-iminoimidazolidin-1-yl)-1,1-di(propan-2-yl)guanidine?
The IUPAC name of 2-(3-amino-2-iminoimidazolidin-1-yl)-1,1-di(propan-2-yl)guanidine (CID 57115864) is 2-(3-amino-2-iminoimidazolidin-1-yl)-1,1-di(propan-2-yl)guanidine.
What is the SMILES notation for 2-(3-amino-2-iminoimidazolidin-1-yl)-1,1-di(propan-2-yl)guanidine?
The canonical SMILES for 2-(3-amino-2-iminoimidazolidin-1-yl)-1,1-di(propan-2-yl)guanidine is [H]/N=C1/N(N)CCN1N=C(N)N(C(C)C)C(C)C.
What is the InChIKey of 2-(3-amino-2-iminoimidazolidin-1-yl)-1,1-di(propan-2-yl)guanidine?
The InChIKey is YEGXSZKLYNSOGH-BENRWUELSA-N. The full InChI is InChI=1S/C10H23N7/c1-7(2)17(8(3)4)9(11)14-16-6-5-15(13)10(16)12/h7-8,12H,5-6,13H2,1-4H3,(H2,11,14)/b12-10-.
What are the key properties of 2-(3-amino-2-iminoimidazolidin-1-yl)-1,1-di(propan-2-yl)guanidine?
2-(3-amino-2-iminoimidazolidin-1-yl)-1,1-di(propan-2-yl)guanidine has a molecular weight of 241.34 g/mol, XLogP of -0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-iminoimidazolidin-1-yl)-1,1-di(propan-2-yl)guanidine is sourced from PubChem (CID 57115864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).