1-(1-tert-butylpiperidin-4-yl)-2-methylguanidine

C11H24N4 — CID 118231381

IUPAC1-(1-tert-butylpiperidin-4-yl)-2-methylguanidine
SMILESC/N=C(\N)NC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H24N4/c1-11(2,3)15-7-5-9(6-8-15)14-10(12)13-4/h9H,5-8H2,1-4H3,(H3,12,13,14)
InChIKeyUZBUUIBNJPQQKC-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.78
Rot. Bonds1

About 1-(1-tert-butylpiperidin-4-yl)-2-methylguanidine

1-(1-tert-butylpiperidin-4-yl)-2-methylguanidine (PubChem CID 118231381) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(1-tert-butylpiperidin-4-yl)-2-methylguanidine.

Molecular Properties

Compound Name1-(1-tert-butylpiperidin-4-yl)-2-methylguanidine
PubChem CID118231381
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name1-(1-tert-butylpiperidin-4-yl)-2-methylguanidine
SMILESC/N=C(\N)NC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H24N4/c1-11(2,3)15-7-5-9(6-8-15)14-10(12)13-4/h9H,5-8H2,1-4H3,(H3,12,13,14)
InChIKeyUZBUUIBNJPQQKC-UHFFFAOYSA-N
XLogP0.78
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.78
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'}

Analyze 1-(1-tert-butylpiperidin-4-yl)-2-methylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylpiperidin-4-yl)-2-methylguanidine?
The IUPAC name of 1-(1-tert-butylpiperidin-4-yl)-2-methylguanidine (CID 118231381) is 1-(1-tert-butylpiperidin-4-yl)-2-methylguanidine.
What is the SMILES notation for 1-(1-tert-butylpiperidin-4-yl)-2-methylguanidine?
The canonical SMILES for 1-(1-tert-butylpiperidin-4-yl)-2-methylguanidine is C/N=C(\N)NC1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-(1-tert-butylpiperidin-4-yl)-2-methylguanidine?
The InChIKey is UZBUUIBNJPQQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-11(2,3)15-7-5-9(6-8-15)14-10(12)13-4/h9H,5-8H2,1-4H3,(H3,12,13,14).
What are the key properties of 1-(1-tert-butylpiperidin-4-yl)-2-methylguanidine?
1-(1-tert-butylpiperidin-4-yl)-2-methylguanidine has a molecular weight of 212.34 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylpiperidin-4-yl)-2-methylguanidine is sourced from PubChem (CID 118231381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).