1-[2-(2-methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine

C13H26N4 — CID 111056802

IUPAC1-[2-(2-methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCN1CCCCC1C
InChIInChI=1S/C13H26N4/c1-11(2)10-16-13(14)15-7-9-17-8-5-4-6-12(17)3/h12H,1,4-10H2,2-3H3,(H3,14,15,16)
InChIKeyQJIVDJSQACLBAH-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.34
Rot. Bonds5

About 1-[2-(2-methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine

1-[2-(2-methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine (PubChem CID 111056802) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-[2-(2-methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine.

Molecular Properties

Compound Name1-[2-(2-methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine
PubChem CID111056802
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name1-[2-(2-methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCN1CCCCC1C
InChIInChI=1S/C13H26N4/c1-11(2)10-16-13(14)15-7-9-17-8-5-4-6-12(17)3/h12H,1,4-10H2,2-3H3,(H3,14,15,16)
InChIKeyQJIVDJSQACLBAH-UHFFFAOYSA-N
XLogP1.34
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.34
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-1-[1-(2-methylprop-2-enyl)piperidin-4-yl]-3-(3,3,3-trifluoropropyl)guanidine
CID 111995331
1-Ethyl-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]-2-(3,3,3-trifluoropropyl)guanidine
CID 111995335
2-Methyl-1-[1-(2-methylprop-2-enyl)piperidin-4-yl]-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
CID 112031074
2-Methyl-1-[1-(2-methylprop-2-enyl)piperidin-4-yl]-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
CID 112031075
1-Ethyl-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
CID 112031091
(3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide
CID 59069931
N'-[(2S)-1-(methylamino)propan-2-yl]piperidine-1-carboximidamide
CID 69471324
1-[4-Methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperidin-3-amine
CID 91352250
1-[4-Methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperazine
CID 91388993
1-[(3S,6S)-1,6-dimethylpiperidin-3-yl]-2-methylguanidine
CID 166880635
5-methyl-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]-1,4-dihydropyrimidin-2-amine
CID 171070128
1-Butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 51132122

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine?
The IUPAC name of 1-[2-(2-methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine (CID 111056802) is 1-[2-(2-methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine.
What is the SMILES notation for 1-[2-(2-methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine?
The canonical SMILES for 1-[2-(2-methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine is C=C(C)C/N=C(\N)NCCN1CCCCC1C.
What is the InChIKey of 1-[2-(2-methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine?
The InChIKey is QJIVDJSQACLBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-11(2)10-16-13(14)15-7-9-17-8-5-4-6-12(17)3/h12H,1,4-10H2,2-3H3,(H3,14,15,16).
What are the key properties of 1-[2-(2-methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine?
1-[2-(2-methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine has a molecular weight of 238.38 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpiperidin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine is sourced from PubChem (CID 111056802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).