2-methylpropyl-[6-(2-methylpropylazaniumyl)hexyl]azanium

C14H34N2+2 — CID 7020358

IUPAC2-methylpropyl-[6-(2-methylpropylazaniumyl)hexyl]azanium
SMILESCC(C)C[NH2+]CCCCCC[NH2+]CC(C)C
InChIInChI=1S/C14H32N2/c1-13(2)11-15-9-7-5-6-8-10-16-12-14(3)4/h13-16H,5-12H2,1-4H3/p+2
InChIKeyLTRQCWUIJWVNNK-UHFFFAOYSA-P
MW230.44 g/mol
LogP0.99
Rot. Bonds11

About 2-methylpropyl-[6-(2-methylpropylazaniumyl)hexyl]azanium

2-methylpropyl-[6-(2-methylpropylazaniumyl)hexyl]azanium (PubChem CID 7020358) has the molecular formula C14H34N2+2 and a molecular weight of 230.44 g/mol. Its IUPAC name is 2-methylpropyl-[6-(2-methylpropylazaniumyl)hexyl]azanium.

Molecular Properties

Compound Name2-methylpropyl-[6-(2-methylpropylazaniumyl)hexyl]azanium
PubChem CID7020358
Molecular FormulaC14H34N2+2
Molecular Weight230.44 g/mol
Exact Mass230.27
IUPAC Name2-methylpropyl-[6-(2-methylpropylazaniumyl)hexyl]azanium
SMILESCC(C)C[NH2+]CCCCCC[NH2+]CC(C)C
InChIInChI=1S/C14H32N2/c1-13(2)11-15-9-7-5-6-8-10-16-12-14(3)4/h13-16H,5-12H2,1-4H3/p+2
InChIKeyLTRQCWUIJWVNNK-UHFFFAOYSA-P
XLogP0.99
TPSA33.22 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.44
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethylhexyl(18-methylnonadecyl)azanium chloride
CID 141195161
trimethyl-[7-(2-methylbutylazaniumyl)heptyl]azanium
CID 176865723
ethyl-[(2S)-3-[3-[[(2S)-3-(ethylazaniumyl)-2-hydroxypropyl]azaniumyl]propylazaniumyl]-2-hydroxypropyl]azanium tetrachloride
CID 10693501
7-aminoheptyl-[3-(propan-2-ylazaniumyl)propyl]azanium
CID 59061295
butyl(dodecyl)azanium
CID 91941247
octyl(2,3,4,5,6-pentahydroxyhexyl)azanium
CID 59916970
but-2-ynyl(2-methylpropyl)azanium
CID 7015377
butyl(tetradecyl)azanium chloride
CID 20788665
azanium;dioctadecylazanium;dichloride
CID 172767895
benzyl(18-methylnonadecyl)azanium bromide
CID 87651373
benzyl(18-methylnonadecyl)azanium chloride
CID 57375629
2-methylpropyl(oxido)azanium
CID 170533392

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl-[6-(2-methylpropylazaniumyl)hexyl]azanium?
The IUPAC name of 2-methylpropyl-[6-(2-methylpropylazaniumyl)hexyl]azanium (CID 7020358) is 2-methylpropyl-[6-(2-methylpropylazaniumyl)hexyl]azanium.
What is the SMILES notation for 2-methylpropyl-[6-(2-methylpropylazaniumyl)hexyl]azanium?
The canonical SMILES for 2-methylpropyl-[6-(2-methylpropylazaniumyl)hexyl]azanium is CC(C)C[NH2+]CCCCCC[NH2+]CC(C)C.
What is the InChIKey of 2-methylpropyl-[6-(2-methylpropylazaniumyl)hexyl]azanium?
The InChIKey is LTRQCWUIJWVNNK-UHFFFAOYSA-P. The full InChI is InChI=1S/C14H32N2/c1-13(2)11-15-9-7-5-6-8-10-16-12-14(3)4/h13-16H,5-12H2,1-4H3/p+2.
What are the key properties of 2-methylpropyl-[6-(2-methylpropylazaniumyl)hexyl]azanium?
2-methylpropyl-[6-(2-methylpropylazaniumyl)hexyl]azanium has a molecular weight of 230.44 g/mol, XLogP of 0.99, 11 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl-[6-(2-methylpropylazaniumyl)hexyl]azanium is sourced from PubChem (CID 7020358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).