1-tert-butyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine

C13H28N4 — CID 111056754

IUPAC1-tert-butyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
SMILESCC1CCCCN1CC/N=C(\N)NC(C)(C)C
InChIInChI=1S/C13H28N4/c1-11-7-5-6-9-17(11)10-8-15-12(14)16-13(2,3)4/h11H,5-10H2,1-4H3,(H3,14,15,16)
InChIKeyBZYWYHZRMQCIDJ-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.56
Rot. Bonds3

About 1-tert-butyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine

1-tert-butyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine (PubChem CID 111056754) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-tert-butyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
PubChem CID111056754
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name1-tert-butyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
SMILESCC1CCCCN1CC/N=C(\N)NC(C)(C)C
InChIInChI=1S/C13H28N4/c1-11-7-5-6-9-17(11)10-8-15-12(14)16-13(2,3)4/h11H,5-10H2,1-4H3,(H3,14,15,16)
InChIKeyBZYWYHZRMQCIDJ-UHFFFAOYSA-N
XLogP1.56
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.56
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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Related Compounds

1-tert-butyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111060069
1-[(2S)-butan-2-yl]-2-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]guanidine
CID 124732340
2-(3-methylbutyl)-1-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
CID 111056738
4-methyl-N'-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide
CID 110920148
1-butyl-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111032905
1-[4-(2-methylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide
CID 111060060
1-cyclohexyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111060057
ethyl 4-[[N'-[2-(2-methylpiperidin-1-yl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111056779
2-(3-ethoxypropyl)-1-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 111056765
2-[4-(2-methylpiperidin-1-yl)butyl]-1-phenylguanidine;hydroiodide
CID 110915715
1-tert-butyl-2-(3-cyclohexylpropyl)guanidine
CID 111062806
3-(2-methylpiperidin-1-yl)propanamide
CID 15121454

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine?
The IUPAC name of 1-tert-butyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine (CID 111056754) is 1-tert-butyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine.
What is the SMILES notation for 1-tert-butyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine?
The canonical SMILES for 1-tert-butyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine is CC1CCCCN1CC/N=C(\N)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine?
The InChIKey is BZYWYHZRMQCIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-11-7-5-6-9-17(11)10-8-15-12(14)16-13(2,3)4/h11H,5-10H2,1-4H3,(H3,14,15,16).
What are the key properties of 1-tert-butyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine?
1-tert-butyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine has a molecular weight of 240.39 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine is sourced from PubChem (CID 111056754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).