2-(2-methylprop-2-enyl)-1-(3-piperidin-1-ylbutyl)guanidine

C14H28N4 — CID 110032432

IUPAC2-(2-methylprop-2-enyl)-1-(3-piperidin-1-ylbutyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCC(C)N1CCCCC1
InChIInChI=1S/C14H28N4/c1-12(2)11-17-14(15)16-8-7-13(3)18-9-5-4-6-10-18/h13H,1,4-11H2,2-3H3,(H3,15,16,17)
InChIKeyFRFKPBLQNZPNIL-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.73
Rot. Bonds6

About 2-(2-methylprop-2-enyl)-1-(3-piperidin-1-ylbutyl)guanidine

2-(2-methylprop-2-enyl)-1-(3-piperidin-1-ylbutyl)guanidine (PubChem CID 110032432) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)-1-(3-piperidin-1-ylbutyl)guanidine.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)-1-(3-piperidin-1-ylbutyl)guanidine
PubChem CID110032432
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name2-(2-methylprop-2-enyl)-1-(3-piperidin-1-ylbutyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCC(C)N1CCCCC1
InChIInChI=1S/C14H28N4/c1-12(2)11-17-14(15)16-8-7-13(3)18-9-5-4-6-10-18/h13H,1,4-11H2,2-3H3,(H3,15,16,17)
InChIKeyFRFKPBLQNZPNIL-UHFFFAOYSA-N
XLogP1.73
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.73
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-prop-2-enylpiperidin-4-yl)-3-(3,3,3-trifluoropropyl)guanidine
CID 111995261
2-Methyl-1-[1-(2-methylprop-2-enyl)piperidin-4-yl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111995330
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;hydroiodide
CID 111995334
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
2-(2-Methylprop-2-enyl)-1-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine
CID 120662554
1,1,2,3-Tetramethyl-3-piperidin-4-ylguanidine
CID 22957260
2-Methyl-1-(1-methylpiperidin-4-yl)guanidine
CID 59833305
1-[4-Methyl-1-(3-methylbut-2-enyl)-4,5-dihydroimidazol-2-yl]piperidin-3-amine
CID 91352250

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enyl)-1-(3-piperidin-1-ylbutyl)guanidine?
The IUPAC name of 2-(2-methylprop-2-enyl)-1-(3-piperidin-1-ylbutyl)guanidine (CID 110032432) is 2-(2-methylprop-2-enyl)-1-(3-piperidin-1-ylbutyl)guanidine.
What is the SMILES notation for 2-(2-methylprop-2-enyl)-1-(3-piperidin-1-ylbutyl)guanidine?
The canonical SMILES for 2-(2-methylprop-2-enyl)-1-(3-piperidin-1-ylbutyl)guanidine is C=C(C)C/N=C(\N)NCCC(C)N1CCCCC1.
What is the InChIKey of 2-(2-methylprop-2-enyl)-1-(3-piperidin-1-ylbutyl)guanidine?
The InChIKey is FRFKPBLQNZPNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-12(2)11-17-14(15)16-8-7-13(3)18-9-5-4-6-10-18/h13H,1,4-11H2,2-3H3,(H3,15,16,17).
What are the key properties of 2-(2-methylprop-2-enyl)-1-(3-piperidin-1-ylbutyl)guanidine?
2-(2-methylprop-2-enyl)-1-(3-piperidin-1-ylbutyl)guanidine has a molecular weight of 252.41 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)-1-(3-piperidin-1-ylbutyl)guanidine is sourced from PubChem (CID 110032432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).