1-(cyclooctylmethyl)-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide

C15H32IN3O — CID 110973864

IUPAC1-(cyclooctylmethyl)-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCCOC)NCC1CCCCCCC1.I
InChIInChI=1S/C15H31N3O.HI/c1-16-15(17-11-8-12-19-2)18-13-14-9-6-4-3-5-7-10-14;/h14H,3-13H2,1-2H3,(H2,16,17,18);1H
InChIKeyWYQHGFCWAPZYMS-UHFFFAOYSA-N
MW397.35 g/mol
LogP3.17
Rot. Bonds6

About 1-(cyclooctylmethyl)-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide

1-(cyclooctylmethyl)-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide (PubChem CID 110973864) has the molecular formula C15H32IN3O and a molecular weight of 397.35 g/mol. Its IUPAC name is 1-(cyclooctylmethyl)-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(cyclooctylmethyl)-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
PubChem CID110973864
Molecular FormulaC15H32IN3O
Molecular Weight397.35 g/mol
Exact Mass397.16
IUPAC Name1-(cyclooctylmethyl)-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCCOC)NCC1CCCCCCC1.I
InChIInChI=1S/C15H31N3O.HI/c1-16-15(17-11-8-12-19-2)18-13-14-9-6-4-3-5-7-10-14;/h14H,3-13H2,1-2H3,(H2,16,17,18);1H
InChIKeyWYQHGFCWAPZYMS-UHFFFAOYSA-N
XLogP3.17
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 53.17
H-Bond Donors ≤ 52
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-(cyclooctylmethyl)-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide
CID 111869131
1-[(1-ethylpiperidin-3-yl)methyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 110973911
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[(4-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 111404250
1-(3-cyclopentylpropyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111404127
2-cyclohexyl-N-[2-[[N-[3-(2-methoxyethoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111407116
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[(4-methylcyclohexyl)methyl]guanidine
CID 111404251
1-[3-(cyclopropylmethoxy)propyl]-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide
CID 111391352
1-(cyclooctylmethyl)-2-methyl-3-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111642760
1-(3-cyclopentylpropyl)-3-[2-(2-methoxyethoxy)ethyl]-2-methylguanidine;hydroiodide
CID 111946436
1-(3-cyclopentylpropyl)-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine;hydroiodide
CID 111947232
1-(3-cyclohexylpropyl)-2-methyl-3-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111947622
1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 110975800

Frequently Asked Questions

What is the IUPAC name of 1-(cyclooctylmethyl)-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-(cyclooctylmethyl)-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide (CID 110973864) is 1-(cyclooctylmethyl)-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-(cyclooctylmethyl)-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-(cyclooctylmethyl)-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide is C/N=C(\NCCCOC)NCC1CCCCCCC1.I.
What is the InChIKey of 1-(cyclooctylmethyl)-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide?
The InChIKey is WYQHGFCWAPZYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O.HI/c1-16-15(17-11-8-12-19-2)18-13-14-9-6-4-3-5-7-10-14;/h14H,3-13H2,1-2H3,(H2,16,17,18);1H.
What are the key properties of 1-(cyclooctylmethyl)-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide?
1-(cyclooctylmethyl)-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide has a molecular weight of 397.35 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclooctylmethyl)-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 110973864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).