1-tert-butyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine

C15H32N4 — CID 111057518

IUPAC1-tert-butyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine
SMILESCC1CC(C)CN(CCC/N=C(\N)NC(C)(C)C)C1
InChIInChI=1S/C15H32N4/c1-12-9-13(2)11-19(10-12)8-6-7-17-14(16)18-15(3,4)5/h12-13H,6-11H2,1-5H3,(H3,16,17,18)
InChIKeyLKOJWRNBYKGWGA-UHFFFAOYSA-N
MW268.45 g/mol
LogP2.06
Rot. Bonds4

About 1-tert-butyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine

1-tert-butyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine (PubChem CID 111057518) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 1-tert-butyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine
PubChem CID111057518
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name1-tert-butyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine
SMILESCC1CC(C)CN(CCC/N=C(\N)NC(C)(C)C)C1
InChIInChI=1S/C15H32N4/c1-12-9-13(2)11-19(10-12)8-6-7-17-14(16)18-15(3,4)5/h12-13H,6-11H2,1-5H3,(H3,16,17,18)
InChIKeyLKOJWRNBYKGWGA-UHFFFAOYSA-N
XLogP2.06
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-tert-butyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine with MolForge

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

Launch Full Analysis

Related Compounds

1-tert-butyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111057517
1-tert-butyl-2-[4-(3,5-dimethylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111060450
2-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(4-methylphenyl)guanidine
CID 111057526
1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-propylguanidine
CID 111057510
1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine
CID 111057548
1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-propylguanidine;hydroiodide
CID 111060442
2-[3-(4-benzylpiperazin-1-yl)propyl]-1-tert-butylguanidine
CID 111059123
ethyl 4-[[N'-[3-(3,5-dimethylpiperidin-1-yl)propyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111057543
1-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-2-methylguanidine
CID 124841464
1-tert-butyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111060069
N-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)pentan-1-amine
CID 55070235
1-tert-butyl-2-(3-cyclohexylpropyl)guanidine
CID 111062806

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine?
The IUPAC name of 1-tert-butyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine (CID 111057518) is 1-tert-butyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine.
What is the SMILES notation for 1-tert-butyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine?
The canonical SMILES for 1-tert-butyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine is CC1CC(C)CN(CCC/N=C(\N)NC(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine?
The InChIKey is LKOJWRNBYKGWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-12-9-13(2)11-19(10-12)8-6-7-17-14(16)18-15(3,4)5/h12-13H,6-11H2,1-5H3,(H3,16,17,18).
What are the key properties of 1-tert-butyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine?
1-tert-butyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine has a molecular weight of 268.45 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[3-(3,5-dimethylpiperidin-1-yl)propyl]guanidine is sourced from PubChem (CID 111057518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).