butyl-(methylaminomethyl)-methylideneazanium

C7H17N2+ — CID 123374943

IUPACbutyl-(methylaminomethyl)-methylideneazanium
SMILESC=[N+](CCCC)CNC
InChIInChI=1S/C7H17N2/c1-4-5-6-9(3)7-8-2/h8H,3-7H2,1-2H3/q+1
InChIKeyPRECUHFSCNFFQU-UHFFFAOYSA-N
MW129.23 g/mol
LogP0.68
Rot. Bonds5

About butyl-(methylaminomethyl)-methylideneazanium

butyl-(methylaminomethyl)-methylideneazanium (PubChem CID 123374943) has the molecular formula C7H17N2+ and a molecular weight of 129.23 g/mol. Its IUPAC name is butyl-(methylaminomethyl)-methylideneazanium.

Molecular Properties

Compound Namebutyl-(methylaminomethyl)-methylideneazanium
PubChem CID123374943
Molecular FormulaC7H17N2+
Molecular Weight129.23 g/mol
Exact Mass129.14
IUPAC Namebutyl-(methylaminomethyl)-methylideneazanium
SMILESC=[N+](CCCC)CNC
InChIInChI=1S/C7H17N2/c1-4-5-6-9(3)7-8-2/h8H,3-7H2,1-2H3/q+1
InChIKeyPRECUHFSCNFFQU-UHFFFAOYSA-N
XLogP0.68
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

dibutyl(methylidene)azanium chloride
CID 12719384
ethane;formaldehyde;N-methylethanamine;pentane
CID 153349294
N-dodecylmethanimine oxide
CID 174690762
N-methylbutan-1-amine
CID 8068
CID 157215984
CID 157215984
N-methylmethanamine;octadecane
CID 18446151
ethene;pentane
CID 54525676
CID 175738153
CID 175738153
ethane;N-methylbutan-1-amine;propane
CID 142092371
N-methyltriacontan-1-amine
CID 19840895
hexadecane;N-methylmethanamine;hydrobromide
CID 174351414
ethane;N-methylbutan-1-amine;N-methylethanamine
CID 162138927

Frequently Asked Questions

What is the IUPAC name of butyl-(methylaminomethyl)-methylideneazanium?
The IUPAC name of butyl-(methylaminomethyl)-methylideneazanium (CID 123374943) is butyl-(methylaminomethyl)-methylideneazanium.
What is the SMILES notation for butyl-(methylaminomethyl)-methylideneazanium?
The canonical SMILES for butyl-(methylaminomethyl)-methylideneazanium is C=[N+](CCCC)CNC.
What is the InChIKey of butyl-(methylaminomethyl)-methylideneazanium?
The InChIKey is PRECUHFSCNFFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N2/c1-4-5-6-9(3)7-8-2/h8H,3-7H2,1-2H3/q+1.
What are the key properties of butyl-(methylaminomethyl)-methylideneazanium?
butyl-(methylaminomethyl)-methylideneazanium has a molecular weight of 129.23 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(methylaminomethyl)-methylideneazanium is sourced from PubChem (CID 123374943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).