1-amino-2-tert-butylguanidine

C5H14N4 — CID 13451339

IUPAC1-amino-2-tert-butylguanidine
SMILESCC(C)(C)/N=C(\N)NN
InChIInChI=1S/C5H14N4/c1-5(2,3)8-4(6)9-7/h7H2,1-3H3,(H3,6,8,9)
InChIKeyRAWJTHVDVNPMIP-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.44
Rot. Bonds

About 1-amino-2-tert-butylguanidine

1-amino-2-tert-butylguanidine (PubChem CID 13451339) has the molecular formula C5H14N4 and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-amino-2-tert-butylguanidine.

Molecular Properties

Compound Name1-amino-2-tert-butylguanidine
PubChem CID13451339
Molecular FormulaC5H14N4
Molecular Weight130.19 g/mol
Exact Mass130.12
IUPAC Name1-amino-2-tert-butylguanidine
SMILESCC(C)(C)/N=C(\N)NN
InChIInChI=1S/C5H14N4/c1-5(2,3)8-4(6)9-7/h7H2,1-3H3,(H3,6,8,9)
InChIKeyRAWJTHVDVNPMIP-UHFFFAOYSA-N
XLogP-0.44
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
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-tert-butylguanidine?
The IUPAC name of 1-amino-2-tert-butylguanidine (CID 13451339) is 1-amino-2-tert-butylguanidine.
What is the SMILES notation for 1-amino-2-tert-butylguanidine?
The canonical SMILES for 1-amino-2-tert-butylguanidine is CC(C)(C)/N=C(\N)NN.
What is the InChIKey of 1-amino-2-tert-butylguanidine?
The InChIKey is RAWJTHVDVNPMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4/c1-5(2,3)8-4(6)9-7/h7H2,1-3H3,(H3,6,8,9).
What are the key properties of 1-amino-2-tert-butylguanidine?
1-amino-2-tert-butylguanidine has a molecular weight of 130.19 g/mol, XLogP of -0.44, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-tert-butylguanidine is sourced from PubChem (CID 13451339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).