1-[(1-ethylpiperidin-2-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide

C13H27IN4 — CID 111803501

IUPAC1-[(1-ethylpiperidin-2-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NCC1CCCCN1CC.I
InChIInChI=1S/C13H26N4.HI/c1-4-17-8-6-5-7-12(17)10-16-13(14)15-9-11(2)3;/h12H,2,4-10H2,1,3H3,(H3,14,15,16);1H
InChIKeyBNTDNEVABUFCCW-UHFFFAOYSA-N
MW366.29 g/mol
LogP1.96
Rot. Bonds5

About 1-[(1-ethylpiperidin-2-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide

1-[(1-ethylpiperidin-2-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide (PubChem CID 111803501) has the molecular formula C13H27IN4 and a molecular weight of 366.29 g/mol. Its IUPAC name is 1-[(1-ethylpiperidin-2-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[(1-ethylpiperidin-2-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
PubChem CID111803501
Molecular FormulaC13H27IN4
Molecular Weight366.29 g/mol
Exact Mass366.13
IUPAC Name1-[(1-ethylpiperidin-2-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NCC1CCCCN1CC.I
InChIInChI=1S/C13H26N4.HI/c1-4-17-8-6-5-7-12(17)10-16-13(14)15-9-11(2)3;/h12H,2,4-10H2,1,3H3,(H3,14,15,16);1H
InChIKeyBNTDNEVABUFCCW-UHFFFAOYSA-N
XLogP1.96
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 51.96
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': 'iodine', '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;hydroiodide
CID 111995330
1-Ethyl-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111995334
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;hydroiodide
CID 112031090
(3S)-N',2-dimethyl-3-(propan-2-ylamino)piperidine-1-carboximidamide
CID 59069931
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;hydroiodide
CID 51132121
1-Butan-2-yl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
CID 53596827

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpiperidin-2-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
The IUPAC name of 1-[(1-ethylpiperidin-2-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide (CID 111803501) is 1-[(1-ethylpiperidin-2-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[(1-ethylpiperidin-2-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
The canonical SMILES for 1-[(1-ethylpiperidin-2-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide is C=C(C)C/N=C(\N)NCC1CCCCN1CC.I.
What is the InChIKey of 1-[(1-ethylpiperidin-2-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
The InChIKey is BNTDNEVABUFCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4.HI/c1-4-17-8-6-5-7-12(17)10-16-13(14)15-9-11(2)3;/h12H,2,4-10H2,1,3H3,(H3,14,15,16);1H.
What are the key properties of 1-[(1-ethylpiperidin-2-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
1-[(1-ethylpiperidin-2-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide has a molecular weight of 366.29 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpiperidin-2-yl)methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide is sourced from PubChem (CID 111803501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).