1-tert-butyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine

C15H32N4 — CID 111060069

IUPAC1-tert-butyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
SMILESCC1CCCCN1CCCC/N=C(\N)NC(C)(C)C
InChIInChI=1S/C15H32N4/c1-13-9-5-7-11-19(13)12-8-6-10-17-14(16)18-15(2,3)4/h13H,5-12H2,1-4H3,(H3,16,17,18)
InChIKeyWFAFSBSPELZHDM-UHFFFAOYSA-N
MW268.45 g/mol
LogP2.34
Rot. Bonds5

About 1-tert-butyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine

1-tert-butyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine (PubChem CID 111060069) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 1-tert-butyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
PubChem CID111060069
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name1-tert-butyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
SMILESCC1CCCCN1CCCC/N=C(\N)NC(C)(C)C
InChIInChI=1S/C15H32N4/c1-13-9-5-7-11-19(13)12-8-6-10-17-14(16)18-15(2,3)4/h13H,5-12H2,1-4H3,(H3,16,17,18)
InChIKeyWFAFSBSPELZHDM-UHFFFAOYSA-N
XLogP2.34
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 52.34
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'}

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Related Compounds

1-tert-butyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
CID 111056754
1-cyclohexyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111060057
2-[4-(2-methylpiperidin-1-yl)butyl]-1-phenylguanidine;hydroiodide
CID 110915715
N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111060130
1,1-diethyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111060073
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
N'-[4-(2-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide
CID 111060059
ethyl 4-[[N'-[3-(2-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111032942
1-tert-butyl-2-(3-cyclohexylpropyl)guanidine
CID 111062806
1-tert-butyl-2-[4-(3,5-dimethylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111060450
1-[(2S)-butan-2-yl]-2-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]guanidine
CID 124732340

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine?
The IUPAC name of 1-tert-butyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine (CID 111060069) is 1-tert-butyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine.
What is the SMILES notation for 1-tert-butyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine?
The canonical SMILES for 1-tert-butyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine is CC1CCCCN1CCCC/N=C(\N)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine?
The InChIKey is WFAFSBSPELZHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-13-9-5-7-11-19(13)12-8-6-10-17-14(16)18-15(2,3)4/h13H,5-12H2,1-4H3,(H3,16,17,18).
What are the key properties of 1-tert-butyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine?
1-tert-butyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine has a molecular weight of 268.45 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine is sourced from PubChem (CID 111060069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).