1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide

C14H31IN4 — CID 51132121

IUPAC1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
SMILESCCC(C)N/C(N)=N/CC(C)(C)N1CCCCC1.I
InChIInChI=1S/C14H30N4.HI/c1-5-12(2)17-13(15)16-11-14(3,4)18-9-7-6-8-10-18;/h12H,5-11H2,1-4H3,(H3,15,16,17);1H
InChIKeyADWQESQVRNXHPI-UHFFFAOYSA-N
MW382.33 g/mol
LogP2.57
Rot. Bonds5

About 1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide

1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide (PubChem CID 51132121) has the molecular formula C14H31IN4 and a molecular weight of 382.33 g/mol. Its IUPAC name is 1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
PubChem CID51132121
Molecular FormulaC14H31IN4
Molecular Weight382.33 g/mol
Exact Mass382.16
IUPAC Name1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
SMILESCCC(C)N/C(N)=N/CC(C)(C)N1CCCCC1.I
InChIInChI=1S/C14H30N4.HI/c1-5-12(2)17-13(15)16-11-14(3,4)18-9-7-6-8-10-18;/h12H,5-11H2,1-4H3,(H3,15,16,17);1H
InChIKeyADWQESQVRNXHPI-UHFFFAOYSA-N
XLogP2.57
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 52.57
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide (CID 51132121) is 1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide is CCC(C)N/C(N)=N/CC(C)(C)N1CCCCC1.I.
What is the InChIKey of 1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide?
The InChIKey is ADWQESQVRNXHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4.HI/c1-5-12(2)17-13(15)16-11-14(3,4)18-9-7-6-8-10-18;/h12H,5-11H2,1-4H3,(H3,15,16,17);1H.
What are the key properties of 1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide?
1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide has a molecular weight of 382.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 51132121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).