2-(2,2-dimethylpropyl)-1-propylguanidine

C9H21N3 — CID 62361794

IUPAC2-(2,2-dimethylpropyl)-1-propylguanidine
SMILESCCCN/C(N)=N/CC(C)(C)C
InChIInChI=1S/C9H21N3/c1-5-6-11-8(10)12-7-9(2,3)4/h5-7H2,1-4H3,(H3,10,11,12)
InChIKeyHDCMUEFQTWCNQE-UHFFFAOYSA-N
MW171.29 g/mol
LogP1.35
Rot. Bonds3

About 2-(2,2-dimethylpropyl)-1-propylguanidine

2-(2,2-dimethylpropyl)-1-propylguanidine (PubChem CID 62361794) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-1-propylguanidine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-1-propylguanidine
PubChem CID62361794
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name2-(2,2-dimethylpropyl)-1-propylguanidine
SMILESCCCN/C(N)=N/CC(C)(C)C
InChIInChI=1S/C9H21N3/c1-5-6-11-8(10)12-7-9(2,3)4/h5-7H2,1-4H3,(H3,10,11,12)
InChIKeyHDCMUEFQTWCNQE-UHFFFAOYSA-N
XLogP1.35
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.35
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)-1-propylguanidine?
The IUPAC name of 2-(2,2-dimethylpropyl)-1-propylguanidine (CID 62361794) is 2-(2,2-dimethylpropyl)-1-propylguanidine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-1-propylguanidine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-1-propylguanidine is CCCN/C(N)=N/CC(C)(C)C.
What is the InChIKey of 2-(2,2-dimethylpropyl)-1-propylguanidine?
The InChIKey is HDCMUEFQTWCNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-5-6-11-8(10)12-7-9(2,3)4/h5-7H2,1-4H3,(H3,10,11,12).
What are the key properties of 2-(2,2-dimethylpropyl)-1-propylguanidine?
2-(2,2-dimethylpropyl)-1-propylguanidine has a molecular weight of 171.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-1-propylguanidine is sourced from PubChem (CID 62361794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).