1-amino-2-[cyclobutyl(cyclopropyl)methyl]guanidine

C9H18N4 — CID 131048462

IUPAC1-amino-2-[cyclobutyl(cyclopropyl)methyl]guanidine
SMILESNN/C(N)=N/C(C1CCC1)C1CC1
InChIInChI=1S/C9H18N4/c10-9(13-11)12-8(7-4-5-7)6-2-1-3-6/h6-8H,1-5,11H2,(H3,10,12,13)
InChIKeyJPADZOJRURAKSV-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.34
Rot. Bonds3

About 1-amino-2-[cyclobutyl(cyclopropyl)methyl]guanidine

1-amino-2-[cyclobutyl(cyclopropyl)methyl]guanidine (PubChem CID 131048462) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-amino-2-[cyclobutyl(cyclopropyl)methyl]guanidine.

Molecular Properties

Compound Name1-amino-2-[cyclobutyl(cyclopropyl)methyl]guanidine
PubChem CID131048462
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name1-amino-2-[cyclobutyl(cyclopropyl)methyl]guanidine
SMILESNN/C(N)=N/C(C1CCC1)C1CC1
InChIInChI=1S/C9H18N4/c10-9(13-11)12-8(7-4-5-7)6-2-1-3-6/h6-8H,1-5,11H2,(H3,10,12,13)
InChIKeyJPADZOJRURAKSV-UHFFFAOYSA-N
XLogP0.34
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.34
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-[cyclobutyl(cyclopropyl)methyl]guanidine?
The IUPAC name of 1-amino-2-[cyclobutyl(cyclopropyl)methyl]guanidine (CID 131048462) is 1-amino-2-[cyclobutyl(cyclopropyl)methyl]guanidine.
What is the SMILES notation for 1-amino-2-[cyclobutyl(cyclopropyl)methyl]guanidine?
The canonical SMILES for 1-amino-2-[cyclobutyl(cyclopropyl)methyl]guanidine is NN/C(N)=N/C(C1CCC1)C1CC1.
What is the InChIKey of 1-amino-2-[cyclobutyl(cyclopropyl)methyl]guanidine?
The InChIKey is JPADZOJRURAKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c10-9(13-11)12-8(7-4-5-7)6-2-1-3-6/h6-8H,1-5,11H2,(H3,10,12,13).
What are the key properties of 1-amino-2-[cyclobutyl(cyclopropyl)methyl]guanidine?
1-amino-2-[cyclobutyl(cyclopropyl)methyl]guanidine has a molecular weight of 182.27 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[cyclobutyl(cyclopropyl)methyl]guanidine is sourced from PubChem (CID 131048462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).