1-ethyl-2-(7-methyloctyl)guanidine;hydroiodide

C12H28IN3 — CID 111025048

IUPAC1-ethyl-2-(7-methyloctyl)guanidine;hydroiodide
SMILESCCN/C(N)=N/CCCCCCC(C)C.I
InChIInChI=1S/C12H27N3.HI/c1-4-14-12(13)15-10-8-6-5-7-9-11(2)3;/h11H,4-10H2,1-3H3,(H3,13,14,15);1H
InChIKeyKKQAPKBACWAOCX-UHFFFAOYSA-N
MW341.28 g/mol
LogP3.14
Rot. Bonds8

About 1-ethyl-2-(7-methyloctyl)guanidine;hydroiodide

1-ethyl-2-(7-methyloctyl)guanidine;hydroiodide (PubChem CID 111025048) has the molecular formula C12H28IN3 and a molecular weight of 341.28 g/mol. Its IUPAC name is 1-ethyl-2-(7-methyloctyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-(7-methyloctyl)guanidine;hydroiodide
PubChem CID111025048
Molecular FormulaC12H28IN3
Molecular Weight341.28 g/mol
Exact Mass341.13
IUPAC Name1-ethyl-2-(7-methyloctyl)guanidine;hydroiodide
SMILESCCN/C(N)=N/CCCCCCC(C)C.I
InChIInChI=1S/C12H27N3.HI/c1-4-14-12(13)15-10-8-6-5-7-9-11(2)3;/h11H,4-10H2,1-3H3,(H3,13,14,15);1H
InChIKeyKKQAPKBACWAOCX-UHFFFAOYSA-N
XLogP3.14
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.28
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-(2-methoxyethyl)-2-(7-methyloctyl)guanidine;hydroiodide
CID 110925122
1-ethyl-2-nonylguanidine
CID 111034740
2-[7-(dimethylamino)heptyl]-1-(3-methylbutyl)guanidine
CID 111084873
2-(5-methoxypentyl)-1-(3-methylbutyl)guanidine
CID 111087551
4-[[amino(ethylamino)methylidene]amino]butanamide
CID 62363745
heptan-1-amine;1-(N'-methylcarbamimidoyl)-2-(7-methyloctyl)guanidine
CID 155716609
1-ethyl-2-hex-5-ynylguanidine
CID 103757239
2-(5-methylhexyl)-1-phenylguanidine;hydroiodide
CID 111456334
(2R)-2-amino-5-[[amino(ethylamino)methylidene]amino]pentanoic acid
CID 10798159
2-(4,4-dimethylpentyl)-1-(3-methylbutyl)guanidine;hydroiodide
CID 111818207
1-ethyl-3-[2-(methanesulfonamido)ethyl]-2-(7-methyloctyl)guanidine;hydroiodide
CID 111204921
1-(2-ethoxyethyl)-3-ethyl-2-(5-methylhexyl)guanidine;hydroiodide
CID 111580367

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(7-methyloctyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-(7-methyloctyl)guanidine;hydroiodide (CID 111025048) is 1-ethyl-2-(7-methyloctyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-(7-methyloctyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-(7-methyloctyl)guanidine;hydroiodide is CCN/C(N)=N/CCCCCCC(C)C.I.
What is the InChIKey of 1-ethyl-2-(7-methyloctyl)guanidine;hydroiodide?
The InChIKey is KKQAPKBACWAOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3.HI/c1-4-14-12(13)15-10-8-6-5-7-9-11(2)3;/h11H,4-10H2,1-3H3,(H3,13,14,15);1H.
What are the key properties of 1-ethyl-2-(7-methyloctyl)guanidine;hydroiodide?
1-ethyl-2-(7-methyloctyl)guanidine;hydroiodide has a molecular weight of 341.28 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(7-methyloctyl)guanidine;hydroiodide is sourced from PubChem (CID 111025048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).