1-cyano-2-(2-methylpropyl)guanidine

C6H12N4 — CID 55287200

IUPAC1-cyano-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)NC#N
InChIInChI=1S/C6H12N4/c1-5(2)3-9-6(8)10-4-7/h5H,3H2,1-2H3,(H3,8,9,10)
InChIKeyBUEYHAPIAJYKKL-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.03
Rot. Bonds2

About 1-cyano-2-(2-methylpropyl)guanidine

1-cyano-2-(2-methylpropyl)guanidine (PubChem CID 55287200) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-cyano-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-cyano-2-(2-methylpropyl)guanidine
PubChem CID55287200
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name1-cyano-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)NC#N
InChIInChI=1S/C6H12N4/c1-5(2)3-9-6(8)10-4-7/h5H,3H2,1-2H3,(H3,8,9,10)
InChIKeyBUEYHAPIAJYKKL-UHFFFAOYSA-N
XLogP0.03
TPSA74.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

CID 351600
CID 351600
CID 218734
CID 218734
CID 176521023
CID 176521023
CID 13548
CID 13548
CID 370391
CID 370391
CID 370386
CID 370386
CID 21361117
CID 21361117
CID 129930651
CID 129930651
CID 21492999
CID 21492999
CID 22899410
CID 22899410
CID 54563933
CID 54563933
CID 57588647
CID 57588647

Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-cyano-2-(2-methylpropyl)guanidine (CID 55287200) is 1-cyano-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-cyano-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-cyano-2-(2-methylpropyl)guanidine is CC(C)C/N=C(\N)NC#N.
What is the InChIKey of 1-cyano-2-(2-methylpropyl)guanidine?
The InChIKey is BUEYHAPIAJYKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-5(2)3-9-6(8)10-4-7/h5H,3H2,1-2H3,(H3,8,9,10).
What are the key properties of 1-cyano-2-(2-methylpropyl)guanidine?
1-cyano-2-(2-methylpropyl)guanidine has a molecular weight of 140.19 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 55287200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).