2-(2-methylpropyl)-1-(3-piperidin-1-ylbutyl)guanidine;hydroiodide

C14H31IN4 — CID 110032415

IUPAC2-(2-methylpropyl)-1-(3-piperidin-1-ylbutyl)guanidine;hydroiodide
SMILESCC(C)C/N=C(\N)NCCC(C)N1CCCCC1.I
InChIInChI=1S/C14H30N4.HI/c1-12(2)11-17-14(15)16-8-7-13(3)18-9-5-4-6-10-18;/h12-13H,4-11H2,1-3H3,(H3,15,16,17);1H
InChIKeyCJSCVAMZCXPLQK-UHFFFAOYSA-N
MW382.33 g/mol
LogP2.43
Rot. Bonds6

About 2-(2-methylpropyl)-1-(3-piperidin-1-ylbutyl)guanidine;hydroiodide

2-(2-methylpropyl)-1-(3-piperidin-1-ylbutyl)guanidine;hydroiodide (PubChem CID 110032415) has the molecular formula C14H31IN4 and a molecular weight of 382.33 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-(3-piperidin-1-ylbutyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-(3-piperidin-1-ylbutyl)guanidine;hydroiodide
PubChem CID110032415
Molecular FormulaC14H31IN4
Molecular Weight382.33 g/mol
Exact Mass382.16
IUPAC Name2-(2-methylpropyl)-1-(3-piperidin-1-ylbutyl)guanidine;hydroiodide
SMILESCC(C)C/N=C(\N)NCCC(C)N1CCCCC1.I
InChIInChI=1S/C14H30N4.HI/c1-12(2)11-17-14(15)16-8-7-13(3)18-9-5-4-6-10-18;/h12-13H,4-11H2,1-3H3,(H3,15,16,17);1H
InChIKeyCJSCVAMZCXPLQK-UHFFFAOYSA-N
XLogP2.43
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 52.43
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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Related Compounds

2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111027417
1-(3-methylbutyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111070218
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(3-methylbutyl)guanidine
CID 111027418
2-(2-methylpropyl)-1-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111029757
1-butan-2-yl-2-(3-piperidin-1-ylbutyl)guanidine;hydroiodide
CID 110029355
2-(2-piperidin-1-ylpropyl)guanidine
CID 62358451
1-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111028977
3-(azocan-1-yl)-N-propan-2-ylbutan-1-amine
CID 62418445
1-(2-cyclopentylethyl)-2-(2-methylpropyl)guanidine
CID 62363523
1-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 122098286
1-[(1-methylpiperidin-3-yl)methyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 110912317
1-[3-(4-methylpiperidin-1-yl)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111034836

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1-(3-piperidin-1-ylbutyl)guanidine;hydroiodide?
The IUPAC name of 2-(2-methylpropyl)-1-(3-piperidin-1-ylbutyl)guanidine;hydroiodide (CID 110032415) is 2-(2-methylpropyl)-1-(3-piperidin-1-ylbutyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(2-methylpropyl)-1-(3-piperidin-1-ylbutyl)guanidine;hydroiodide?
The canonical SMILES for 2-(2-methylpropyl)-1-(3-piperidin-1-ylbutyl)guanidine;hydroiodide is CC(C)C/N=C(\N)NCCC(C)N1CCCCC1.I.
What is the InChIKey of 2-(2-methylpropyl)-1-(3-piperidin-1-ylbutyl)guanidine;hydroiodide?
The InChIKey is CJSCVAMZCXPLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4.HI/c1-12(2)11-17-14(15)16-8-7-13(3)18-9-5-4-6-10-18;/h12-13H,4-11H2,1-3H3,(H3,15,16,17);1H.
What are the key properties of 2-(2-methylpropyl)-1-(3-piperidin-1-ylbutyl)guanidine;hydroiodide?
2-(2-methylpropyl)-1-(3-piperidin-1-ylbutyl)guanidine;hydroiodide has a molecular weight of 382.33 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-(3-piperidin-1-ylbutyl)guanidine;hydroiodide is sourced from PubChem (CID 110032415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).