1,1-diethyl-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide

C15H33IN4 — CID 111059666

IUPAC1,1-diethyl-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/CCCCN1CCC(C)CC1.I
InChIInChI=1S/C15H32N4.HI/c1-4-19(5-2)15(16)17-10-6-7-11-18-12-8-14(3)9-13-18;/h14H,4-13H2,1-3H3,(H2,16,17);1H
InChIKeyAUQROAZJZWACSS-UHFFFAOYSA-N
MW396.36 g/mol
LogP2.77
Rot. Bonds7

About 1,1-diethyl-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide

1,1-diethyl-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide (PubChem CID 111059666) has the molecular formula C15H33IN4 and a molecular weight of 396.36 g/mol. Its IUPAC name is 1,1-diethyl-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1,1-diethyl-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
PubChem CID111059666
Molecular FormulaC15H33IN4
Molecular Weight396.36 g/mol
Exact Mass396.17
IUPAC Name1,1-diethyl-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/CCCCN1CCC(C)CC1.I
InChIInChI=1S/C15H32N4.HI/c1-4-19(5-2)15(16)17-10-6-7-11-18-12-8-14(3)9-13-18;/h14H,4-13H2,1-3H3,(H2,16,17);1H
InChIKeyAUQROAZJZWACSS-UHFFFAOYSA-N
XLogP2.77
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[4-(4-methylpiperidin-1-yl)butyl]guanidine
CID 111059667
1,1-diethyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111060073
4-methyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 110920130
1,1-diethyl-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111086024
N,N-diethyl-3-[[N-ethyl-N'-[3-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]propanamide
CID 111387892
1-butyl-3-ethyl-1-methyl-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111159466
1-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine
CID 111059649
2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1,1-diethylguanidine;hydroiodide
CID 111057597
N'-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920087
1,1-diethyl-2-[[1-(3-methylbutyl)piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111859870
N'-[3-(4-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide
CID 111034887
3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide
CID 111034873

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide?
The IUPAC name of 1,1-diethyl-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide (CID 111059666) is 1,1-diethyl-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide.
What is the SMILES notation for 1,1-diethyl-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide?
The canonical SMILES for 1,1-diethyl-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide is CCN(CC)/C(N)=N/CCCCN1CCC(C)CC1.I.
What is the InChIKey of 1,1-diethyl-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide?
The InChIKey is AUQROAZJZWACSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4.HI/c1-4-19(5-2)15(16)17-10-6-7-11-18-12-8-14(3)9-13-18;/h14H,4-13H2,1-3H3,(H2,16,17);1H.
What are the key properties of 1,1-diethyl-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide?
1,1-diethyl-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide has a molecular weight of 396.36 g/mol, XLogP of 2.77, 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-[4-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide is sourced from PubChem (CID 111059666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).