tetramethylazanium;undecan-1-amine

C15H37N2+ — CID 173140358

IUPACtetramethylazanium;undecan-1-amine
SMILESCCCCCCCCCCCN.C[N+](C)(C)C
InChIInChI=1S/C11H25N.C4H12N/c1-2-3-4-5-6-7-8-9-10-11-12;1-5(2,3)4/h2-12H2,1H3;1-4H3/q;+1
InChIKeyNVPZZNQYLSCVQB-UHFFFAOYSA-N
MW245.47 g/mol
LogP3.80
Rot. Bonds9

About tetramethylazanium;undecan-1-amine

tetramethylazanium;undecan-1-amine (PubChem CID 173140358) has the molecular formula C15H37N2+ and a molecular weight of 245.47 g/mol. Its IUPAC name is tetramethylazanium;undecan-1-amine.

Molecular Properties

Compound Nametetramethylazanium;undecan-1-amine
PubChem CID173140358
Molecular FormulaC15H37N2+
Molecular Weight245.47 g/mol
Exact Mass245.30
IUPAC Nametetramethylazanium;undecan-1-amine
SMILESCCCCCCCCCCCN.C[N+](C)(C)C
InChIInChI=1S/C11H25N.C4H12N/c1-2-3-4-5-6-7-8-9-10-11-12;1-5(2,3)4/h2-12H2,1H3;1-4H3/q;+1
InChIKeyNVPZZNQYLSCVQB-UHFFFAOYSA-N
XLogP3.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
octadecan-1-amine;titanium
CID 174493472
tetracosan-1-amine;hydrobromide
CID 175600580
decane;decane-1,10-diamine;methanediamine
CID 158649191
octadecan-1-amine;trihydrochloride
CID 175177898
copper;hexan-1-amine
CID 87269039
nonan-1-amine;dihydrate
CID 174770026
pentan-1-amine;phosphane;sulfane
CID 174645981

Frequently Asked Questions

What is the IUPAC name of tetramethylazanium;undecan-1-amine?
The IUPAC name of tetramethylazanium;undecan-1-amine (CID 173140358) is tetramethylazanium;undecan-1-amine.
What is the SMILES notation for tetramethylazanium;undecan-1-amine?
The canonical SMILES for tetramethylazanium;undecan-1-amine is CCCCCCCCCCCN.C[N+](C)(C)C.
What is the InChIKey of tetramethylazanium;undecan-1-amine?
The InChIKey is NVPZZNQYLSCVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N.C4H12N/c1-2-3-4-5-6-7-8-9-10-11-12;1-5(2,3)4/h2-12H2,1H3;1-4H3/q;+1.
What are the key properties of tetramethylazanium;undecan-1-amine?
tetramethylazanium;undecan-1-amine has a molecular weight of 245.47 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethylazanium;undecan-1-amine is sourced from PubChem (CID 173140358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).