1-[7-(dimethylamino)heptyl]-2,3-dimethylguanidine;hydroiodide

C12H29IN4 — CID 110918889

IUPAC1-[7-(dimethylamino)heptyl]-2,3-dimethylguanidine;hydroiodide
SMILESC/N=C(\NC)NCCCCCCCN(C)C.I
InChIInChI=1S/C12H28N4.HI/c1-13-12(14-2)15-10-8-6-5-7-9-11-16(3)4;/h5-11H2,1-4H3,(H2,13,14,15);1H
InChIKeyUVRYCCYMVYYDHH-UHFFFAOYSA-N
MW356.30 g/mol
LogP1.91
Rot. Bonds8

About 1-[7-(dimethylamino)heptyl]-2,3-dimethylguanidine;hydroiodide

1-[7-(dimethylamino)heptyl]-2,3-dimethylguanidine;hydroiodide (PubChem CID 110918889) has the molecular formula C12H29IN4 and a molecular weight of 356.30 g/mol. Its IUPAC name is 1-[7-(dimethylamino)heptyl]-2,3-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[7-(dimethylamino)heptyl]-2,3-dimethylguanidine;hydroiodide
PubChem CID110918889
Molecular FormulaC12H29IN4
Molecular Weight356.30 g/mol
Exact Mass356.14
IUPAC Name1-[7-(dimethylamino)heptyl]-2,3-dimethylguanidine;hydroiodide
SMILESC/N=C(\NC)NCCCCCCCN(C)C.I
InChIInChI=1S/C12H28N4.HI/c1-13-12(14-2)15-10-8-6-5-7-9-11-16(3)4;/h5-11H2,1-4H3,(H2,13,14,15);1H
InChIKeyUVRYCCYMVYYDHH-UHFFFAOYSA-N
XLogP1.91
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 51.91
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-[4-(diethylamino)butyl]-2,3-dimethylguanidine
CID 110917279
1-[7-(dimethylamino)heptyl]-2-methyl-3-(4-methylsulfanylbutyl)guanidine
CID 111628338
1-(cyclopropylmethyl)-3-[7-(dimethylamino)heptyl]-2-methylguanidine;hydroiodide
CID 111869695
1-[7-(dimethylamino)heptyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
CID 111234938
1-[5-(diethylamino)pentan-2-yl]-3-[7-(dimethylamino)heptyl]-2-methylguanidine;hydroiodide
CID 110998176
1-[3-[2-methoxyethyl(methyl)amino]propyl]-2,3-dimethylguanidine;hydroiodide
CID 110927292
1-[3-(dimethylamino)propyl]-3-(4-ethoxybutyl)-2-methylguanidine;hydroiodide
CID 111945512
1-[2-(cyclohexen-1-yl)ethyl]-3-[7-(dimethylamino)heptyl]-2-methylguanidine
CID 111208462
1-[7-(dimethylamino)heptyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 111410294
1-[7-(dimethylamino)heptyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine
CID 111229089
1-[3-[ethylsulfonyl(methyl)amino]propyl]-2,3-dimethylguanidine
CID 75462498
1-[7-(dimethylamino)heptyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 111359694

Frequently Asked Questions

What is the IUPAC name of 1-[7-(dimethylamino)heptyl]-2,3-dimethylguanidine;hydroiodide?
The IUPAC name of 1-[7-(dimethylamino)heptyl]-2,3-dimethylguanidine;hydroiodide (CID 110918889) is 1-[7-(dimethylamino)heptyl]-2,3-dimethylguanidine;hydroiodide.
What is the SMILES notation for 1-[7-(dimethylamino)heptyl]-2,3-dimethylguanidine;hydroiodide?
The canonical SMILES for 1-[7-(dimethylamino)heptyl]-2,3-dimethylguanidine;hydroiodide is C/N=C(\NC)NCCCCCCCN(C)C.I.
What is the InChIKey of 1-[7-(dimethylamino)heptyl]-2,3-dimethylguanidine;hydroiodide?
The InChIKey is UVRYCCYMVYYDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4.HI/c1-13-12(14-2)15-10-8-6-5-7-9-11-16(3)4;/h5-11H2,1-4H3,(H2,13,14,15);1H.
What are the key properties of 1-[7-(dimethylamino)heptyl]-2,3-dimethylguanidine;hydroiodide?
1-[7-(dimethylamino)heptyl]-2,3-dimethylguanidine;hydroiodide has a molecular weight of 356.30 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(dimethylamino)heptyl]-2,3-dimethylguanidine;hydroiodide is sourced from PubChem (CID 110918889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).