1-hept-6-enyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethylguanidine;hydroiodide

C19H39IN4O — CID 109483098

IUPAC1-hept-6-enyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\C)NCC1CCN(CCOC)CC1.I
InChIInChI=1S/C19H38N4O.HI/c1-5-6-7-8-9-12-22(3)19(20-2)21-17-18-10-13-23(14-11-18)15-16-24-4;/h5,18H,1,6-17H2,2-4H3,(H,20,21);1H
InChIKeyYLLZNZCTLHJKOM-UHFFFAOYSA-N
MW466.45 g/mol
LogP3.22
Rot. Bonds11

About 1-hept-6-enyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethylguanidine;hydroiodide

1-hept-6-enyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethylguanidine;hydroiodide (PubChem CID 109483098) has the molecular formula C19H39IN4O and a molecular weight of 466.45 g/mol. Its IUPAC name is 1-hept-6-enyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-hept-6-enyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethylguanidine;hydroiodide
PubChem CID109483098
Molecular FormulaC19H39IN4O
Molecular Weight466.45 g/mol
Exact Mass466.22
IUPAC Name1-hept-6-enyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\C)NCC1CCN(CCOC)CC1.I
InChIInChI=1S/C19H38N4O.HI/c1-5-6-7-8-9-12-22(3)19(20-2)21-17-18-10-13-23(14-11-18)15-16-24-4;/h5,18H,1,6-17H2,2-4H3,(H,20,21);1H
InChIKeyYLLZNZCTLHJKOM-UHFFFAOYSA-N
XLogP3.22
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hept-6-enyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethylguanidine;hydroiodide?
The IUPAC name of 1-hept-6-enyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethylguanidine;hydroiodide (CID 109483098) is 1-hept-6-enyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethylguanidine;hydroiodide.
What is the SMILES notation for 1-hept-6-enyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethylguanidine;hydroiodide?
The canonical SMILES for 1-hept-6-enyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethylguanidine;hydroiodide is C=CCCCCCN(C)/C(=N\C)NCC1CCN(CCOC)CC1.I.
What is the InChIKey of 1-hept-6-enyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethylguanidine;hydroiodide?
The InChIKey is YLLZNZCTLHJKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O.HI/c1-5-6-7-8-9-12-22(3)19(20-2)21-17-18-10-13-23(14-11-18)15-16-24-4;/h5,18H,1,6-17H2,2-4H3,(H,20,21);1H.
What are the key properties of 1-hept-6-enyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethylguanidine;hydroiodide?
1-hept-6-enyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethylguanidine;hydroiodide has a molecular weight of 466.45 g/mol, XLogP of 3.22, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-enyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,2-dimethylguanidine;hydroiodide is sourced from PubChem (CID 109483098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).