2-tert-butyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine

C13H28N4 — CID 62362142

IUPAC2-tert-butyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine
SMILESCCN1CCC(N(C)/C(N)=N/C(C)(C)C)CC1
InChIInChI=1S/C13H28N4/c1-6-17-9-7-11(8-10-17)16(5)12(14)15-13(2,3)4/h11H,6-10H2,1-5H3,(H2,14,15)
InChIKeyQNMGLVPQDSTKGJ-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.52
Rot. Bonds2

About 2-tert-butyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine

2-tert-butyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine (PubChem CID 62362142) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-tert-butyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine.

Molecular Properties

Compound Name2-tert-butyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine
PubChem CID62362142
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name2-tert-butyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine
SMILESCCN1CCC(N(C)/C(N)=N/C(C)(C)C)CC1
InChIInChI=1S/C13H28N4/c1-6-17-9-7-11(8-10-17)16(5)12(14)15-13(2,3)4/h11H,6-10H2,1-5H3,(H2,14,15)
InChIKeyQNMGLVPQDSTKGJ-UHFFFAOYSA-N
XLogP1.52
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
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

2-amino-1-(1-ethylpiperidin-4-yl)-1-methylguanidine
CID 64868594
2-amino-1-(1-ethylpiperidin-4-yl)-1-methylguanidine
CID 77054011
2-ethyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine
CID 62361922
1-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylguanidine
CID 110030051
N-(1-ethylpiperidin-4-yl)-N-methylpropanamide
CID 60724468
2,2,2-trifluoroethyl N-(1-ethylpiperidin-4-yl)-N-methylcarbamate
CID 65173697
(2R)-2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119841949
5-[(1-ethylpiperidin-4-yl)-methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934557
2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 55002549
3-(4-aminocyclohexyl)-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide
CID 62782861
2-tert-butyl-1-methyl-1-[(1-methylpiperidin-4-yl)methyl]guanidine
CID 63234380
6-[(1-ethylpiperidin-4-yl)-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710834

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine?
The IUPAC name of 2-tert-butyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine (CID 62362142) is 2-tert-butyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine.
What is the SMILES notation for 2-tert-butyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine?
The canonical SMILES for 2-tert-butyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine is CCN1CCC(N(C)/C(N)=N/C(C)(C)C)CC1.
What is the InChIKey of 2-tert-butyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine?
The InChIKey is QNMGLVPQDSTKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-6-17-9-7-11(8-10-17)16(5)12(14)15-13(2,3)4/h11H,6-10H2,1-5H3,(H2,14,15).
What are the key properties of 2-tert-butyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine?
2-tert-butyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine has a molecular weight of 240.39 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine is sourced from PubChem (CID 62362142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).