2-(2,2-dimethylpropyl)guanidine

C6H15N3 — CID 3964494

IUPAC2-(2,2-dimethylpropyl)guanidine
SMILESCC(C)(C)CN=C(N)N
InChIInChI=1S/C6H15N3/c1-6(2,3)4-9-5(7)8/h4H2,1-3H3,(H4,7,8,9)
InChIKeyUQIFFFDQJBCHGQ-UHFFFAOYSA-N
MW129.21 g/mol
LogP0.31
Rot. Bonds1

About 2-(2,2-dimethylpropyl)guanidine

2-(2,2-dimethylpropyl)guanidine (PubChem CID 3964494) has the molecular formula C6H15N3 and a molecular weight of 129.21 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)guanidine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)guanidine
PubChem CID3964494
Molecular FormulaC6H15N3
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC Name2-(2,2-dimethylpropyl)guanidine
SMILESCC(C)(C)CN=C(N)N
InChIInChI=1S/C6H15N3/c1-6(2,3)4-9-5(7)8/h4H2,1-3H3,(H4,7,8,9)
InChIKeyUQIFFFDQJBCHGQ-UHFFFAOYSA-N
XLogP0.31
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-(2,2-dimethylpropyl)guanidine?
The IUPAC name of 2-(2,2-dimethylpropyl)guanidine (CID 3964494) is 2-(2,2-dimethylpropyl)guanidine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)guanidine?
The canonical SMILES for 2-(2,2-dimethylpropyl)guanidine is CC(C)(C)CN=C(N)N.
What is the InChIKey of 2-(2,2-dimethylpropyl)guanidine?
The InChIKey is UQIFFFDQJBCHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3/c1-6(2,3)4-9-5(7)8/h4H2,1-3H3,(H4,7,8,9).
What are the key properties of 2-(2,2-dimethylpropyl)guanidine?
2-(2,2-dimethylpropyl)guanidine has a molecular weight of 129.21 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)guanidine is sourced from PubChem (CID 3964494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).