1,1-diethyl-2-[[1-(3-methylbutyl)piperidin-4-yl]methyl]guanidine;hydroiodide

C16H35IN4 — CID 111859870

IUPAC1,1-diethyl-2-[[1-(3-methylbutyl)piperidin-4-yl]methyl]guanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/CC1CCN(CCC(C)C)CC1.I
InChIInChI=1S/C16H34N4.HI/c1-5-20(6-2)16(17)18-13-15-8-11-19(12-9-15)10-7-14(3)4;/h14-15H,5-13H2,1-4H3,(H2,17,18);1H
InChIKeyHLOWNTZAOSOEIJ-UHFFFAOYSA-N
MW410.39 g/mol
LogP3.02
Rot. Bonds7

About 1,1-diethyl-2-[[1-(3-methylbutyl)piperidin-4-yl]methyl]guanidine;hydroiodide

1,1-diethyl-2-[[1-(3-methylbutyl)piperidin-4-yl]methyl]guanidine;hydroiodide (PubChem CID 111859870) has the molecular formula C16H35IN4 and a molecular weight of 410.39 g/mol. Its IUPAC name is 1,1-diethyl-2-[[1-(3-methylbutyl)piperidin-4-yl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1,1-diethyl-2-[[1-(3-methylbutyl)piperidin-4-yl]methyl]guanidine;hydroiodide
PubChem CID111859870
Molecular FormulaC16H35IN4
Molecular Weight410.39 g/mol
Exact Mass410.19
IUPAC Name1,1-diethyl-2-[[1-(3-methylbutyl)piperidin-4-yl]methyl]guanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/CC1CCN(CCC(C)C)CC1.I
InChIInChI=1S/C16H34N4.HI/c1-5-20(6-2)16(17)18-13-15-8-11-19(12-9-15)10-7-14(3)4;/h14-15H,5-13H2,1-4H3,(H2,17,18);1H
InChIKeyHLOWNTZAOSOEIJ-UHFFFAOYSA-N
XLogP3.02
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
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

1,1-diethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 111065330
2-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-1-phenylguanidine
CID 111858324
1,1-diethyl-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111059666
N'-hydroxy-1-(3-methylbutyl)piperidine-4-carboximidamide
CID 77038741
1,1-diethyl-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine
CID 111059667
2-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)guanidine
CID 111859922
N-ethyl-N-methyl-1-(3-methylbutyl)piperidin-4-amine
CID 155404879
[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol
CID 42258964
2-[(1-ethylpyrrolidin-3-yl)methyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111065519
2-[(1-ethylpyrrolidin-3-yl)methyl]-1-(3-methylbutyl)guanidine
CID 111065504
1,1-diethyl-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111086024
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[1-(3-methylbutyl)piperidin-4-yl]methyl]guanidine
CID 111859859

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-2-[[1-(3-methylbutyl)piperidin-4-yl]methyl]guanidine;hydroiodide?
The IUPAC name of 1,1-diethyl-2-[[1-(3-methylbutyl)piperidin-4-yl]methyl]guanidine;hydroiodide (CID 111859870) is 1,1-diethyl-2-[[1-(3-methylbutyl)piperidin-4-yl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1,1-diethyl-2-[[1-(3-methylbutyl)piperidin-4-yl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1,1-diethyl-2-[[1-(3-methylbutyl)piperidin-4-yl]methyl]guanidine;hydroiodide is CCN(CC)/C(N)=N/CC1CCN(CCC(C)C)CC1.I.
What is the InChIKey of 1,1-diethyl-2-[[1-(3-methylbutyl)piperidin-4-yl]methyl]guanidine;hydroiodide?
The InChIKey is HLOWNTZAOSOEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4.HI/c1-5-20(6-2)16(17)18-13-15-8-11-19(12-9-15)10-7-14(3)4;/h14-15H,5-13H2,1-4H3,(H2,17,18);1H.
What are the key properties of 1,1-diethyl-2-[[1-(3-methylbutyl)piperidin-4-yl]methyl]guanidine;hydroiodide?
1,1-diethyl-2-[[1-(3-methylbutyl)piperidin-4-yl]methyl]guanidine;hydroiodide has a molecular weight of 410.39 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-2-[[1-(3-methylbutyl)piperidin-4-yl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 111859870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).