2-amino-N'-tert-butylethanimidamide

C6H15N3 — CID 152854790

IUPAC2-amino-N'-tert-butylethanimidamide
SMILESCC(C)(C)/N=C(/N)CN
InChIInChI=1S/C6H15N3/c1-6(2,3)9-5(8)4-7/h4,7H2,1-3H3,(H2,8,9)
InChIKeyTWEFOIHZSMQOPI-UHFFFAOYSA-N
MW129.21 g/mol
LogP0.10
Rot. Bonds1

About 2-amino-N'-tert-butylethanimidamide

2-amino-N'-tert-butylethanimidamide (PubChem CID 152854790) has the molecular formula C6H15N3 and a molecular weight of 129.21 g/mol. Its IUPAC name is 2-amino-N'-tert-butylethanimidamide.

Molecular Properties

Compound Name2-amino-N'-tert-butylethanimidamide
PubChem CID152854790
Molecular FormulaC6H15N3
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC Name2-amino-N'-tert-butylethanimidamide
SMILESCC(C)(C)/N=C(/N)CN
InChIInChI=1S/C6H15N3/c1-6(2,3)9-5(8)4-7/h4,7H2,1-3H3,(H2,8,9)
InChIKeyTWEFOIHZSMQOPI-UHFFFAOYSA-N
XLogP0.10
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-amino-N'-tert-butylethanimidamide?
The IUPAC name of 2-amino-N'-tert-butylethanimidamide (CID 152854790) is 2-amino-N'-tert-butylethanimidamide.
What is the SMILES notation for 2-amino-N'-tert-butylethanimidamide?
The canonical SMILES for 2-amino-N'-tert-butylethanimidamide is CC(C)(C)/N=C(/N)CN.
What is the InChIKey of 2-amino-N'-tert-butylethanimidamide?
The InChIKey is TWEFOIHZSMQOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3/c1-6(2,3)9-5(8)4-7/h4,7H2,1-3H3,(H2,8,9).
What are the key properties of 2-amino-N'-tert-butylethanimidamide?
2-amino-N'-tert-butylethanimidamide has a molecular weight of 129.21 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-tert-butylethanimidamide is sourced from PubChem (CID 152854790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).