1-amino-2-(2,2-dimethylcyclopropyl)guanidine

C6H14N4 — CID 64869059

IUPAC1-amino-2-(2,2-dimethylcyclopropyl)guanidine
SMILESCC1(C)CC1/N=C(\N)NN
InChIInChI=1S/C6H14N4/c1-6(2)3-4(6)9-5(7)10-8/h4H,3,8H2,1-2H3,(H3,7,9,10)
InChIKeyJQZZDFZZKPIRBN-UHFFFAOYSA-N
MW142.21 g/mol
LogP-0.44
Rot. Bonds1

About 1-amino-2-(2,2-dimethylcyclopropyl)guanidine

1-amino-2-(2,2-dimethylcyclopropyl)guanidine (PubChem CID 64869059) has the molecular formula C6H14N4 and a molecular weight of 142.21 g/mol. Its IUPAC name is 1-amino-2-(2,2-dimethylcyclopropyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(2,2-dimethylcyclopropyl)guanidine
PubChem CID64869059
Molecular FormulaC6H14N4
Molecular Weight142.21 g/mol
Exact Mass142.12
IUPAC Name1-amino-2-(2,2-dimethylcyclopropyl)guanidine
SMILESCC1(C)CC1/N=C(\N)NN
InChIInChI=1S/C6H14N4/c1-6(2)3-4(6)9-5(7)10-8/h4H,3,8H2,1-2H3,(H3,7,9,10)
InChIKeyJQZZDFZZKPIRBN-UHFFFAOYSA-N
XLogP-0.44
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.21
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 1-amino-2-(2,2-dimethylcyclopropyl)guanidine?
The IUPAC name of 1-amino-2-(2,2-dimethylcyclopropyl)guanidine (CID 64869059) is 1-amino-2-(2,2-dimethylcyclopropyl)guanidine.
What is the SMILES notation for 1-amino-2-(2,2-dimethylcyclopropyl)guanidine?
The canonical SMILES for 1-amino-2-(2,2-dimethylcyclopropyl)guanidine is CC1(C)CC1/N=C(\N)NN.
What is the InChIKey of 1-amino-2-(2,2-dimethylcyclopropyl)guanidine?
The InChIKey is JQZZDFZZKPIRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4/c1-6(2)3-4(6)9-5(7)10-8/h4H,3,8H2,1-2H3,(H3,7,9,10).
What are the key properties of 1-amino-2-(2,2-dimethylcyclopropyl)guanidine?
1-amino-2-(2,2-dimethylcyclopropyl)guanidine has a molecular weight of 142.21 g/mol, XLogP of -0.44, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2,2-dimethylcyclopropyl)guanidine is sourced from PubChem (CID 64869059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).