3-methanidylheptane;zinc;hydrobromide

C8H18BrZn- — CID 90200578

IUPAC3-methanidylheptane;zinc;hydrobromide
SMILESBr.[CH2-]C(CC)CCCC.[Zn]
InChIInChI=1S/C8H17.BrH.Zn/c1-4-6-7-8(3)5-2;;/h8H,3-7H2,1-2H3;1H;/q-1;;
InChIKeyRWVQADYXQDPZIN-UHFFFAOYSA-N
MW259.53 g/mol
LogP3.61
Rot. Bonds4

About 3-methanidylheptane;zinc;hydrobromide

3-methanidylheptane;zinc;hydrobromide (PubChem CID 90200578) has the molecular formula C8H18BrZn- and a molecular weight of 259.53 g/mol. Its IUPAC name is 3-methanidylheptane;zinc;hydrobromide.

Molecular Properties

Compound Name3-methanidylheptane;zinc;hydrobromide
PubChem CID90200578
Molecular FormulaC8H18BrZn-
Molecular Weight259.53 g/mol
Exact Mass256.99
IUPAC Name3-methanidylheptane;zinc;hydrobromide
SMILESBr.[CH2-]C(CC)CCCC.[Zn]
InChIInChI=1S/C8H17.BrH.Zn/c1-4-6-7-8(3)5-2;;/h8H,3-7H2,1-2H3;1H;/q-1;;
InChIKeyRWVQADYXQDPZIN-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.53
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

cobalt;3-methanidylheptane
CID 154097431
carbamodithioic acid;3-methanidylheptane;zinc
CID 174796340
trizinc;tris(3-methanidylheptane);phosphate
CID 158042505
lanthanum(3+);bis(3-methanidylheptane);phosphate
CID 175484799
zinc;3-methanidylheptane;propane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 174937719
zinc;dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;bis(3-methanidylheptane)
CID 87115211
butane;bis(dioxido(oxo)phosphanium);3-methanidylheptane;bis(neodymium(3+))
CID 158395562
zinc;dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;3-methanidylheptane;2-methanidylpropane
CID 159416043
2-methylhexane;hydrochloride
CID 172797630
dibutyl-ethyl-methylphosphanium
CID 58444360
bis(3-methanidylpentane);tungsten(2+)
CID 58814797
ethane;(3R)-3-ethyl-2-methylheptane
CID 166461427

Frequently Asked Questions

What is the IUPAC name of 3-methanidylheptane;zinc;hydrobromide?
The IUPAC name of 3-methanidylheptane;zinc;hydrobromide (CID 90200578) is 3-methanidylheptane;zinc;hydrobromide.
What is the SMILES notation for 3-methanidylheptane;zinc;hydrobromide?
The canonical SMILES for 3-methanidylheptane;zinc;hydrobromide is Br.[CH2-]C(CC)CCCC.[Zn].
What is the InChIKey of 3-methanidylheptane;zinc;hydrobromide?
The InChIKey is RWVQADYXQDPZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17.BrH.Zn/c1-4-6-7-8(3)5-2;;/h8H,3-7H2,1-2H3;1H;/q-1;;.
What are the key properties of 3-methanidylheptane;zinc;hydrobromide?
3-methanidylheptane;zinc;hydrobromide has a molecular weight of 259.53 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methanidylheptane;zinc;hydrobromide is sourced from PubChem (CID 90200578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).