trimethyl-[3-(2-methylprop-2-enylamino)propyl]azanium

C10H23N2+ — CID 14877281

IUPACtrimethyl-[3-(2-methylprop-2-enylamino)propyl]azanium
SMILESC=C(C)CNCCC[N+](C)(C)C
InChIInChI=1S/C10H23N2/c1-10(2)9-11-7-6-8-12(3,4)5/h11H,1,6-9H2,2-5H3/q+1
InChIKeyNRKBWFYBGVNWTJ-UHFFFAOYSA-N
MW171.31 g/mol
LogP1.25
Rot. Bonds6

About trimethyl-[3-(2-methylprop-2-enylamino)propyl]azanium

trimethyl-[3-(2-methylprop-2-enylamino)propyl]azanium (PubChem CID 14877281) has the molecular formula C10H23N2+ and a molecular weight of 171.31 g/mol. Its IUPAC name is trimethyl-[3-(2-methylprop-2-enylamino)propyl]azanium.

Molecular Properties

Compound Nametrimethyl-[3-(2-methylprop-2-enylamino)propyl]azanium
PubChem CID14877281
Molecular FormulaC10H23N2+
Molecular Weight171.31 g/mol
Exact Mass171.19
IUPAC Nametrimethyl-[3-(2-methylprop-2-enylamino)propyl]azanium
SMILESC=C(C)CNCCC[N+](C)(C)C
InChIInChI=1S/C10H23N2/c1-10(2)9-11-7-6-8-12(3,4)5/h11H,1,6-9H2,2-5H3/q+1
InChIKeyNRKBWFYBGVNWTJ-UHFFFAOYSA-N
XLogP1.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Propen-1-amine, N-ethyl-2-methyl-
CID 87587
Bis(2-methylprop-2-en-1-yl)amine
CID 233709
N-ethyl-N'-[3-[3-(2-methylprop-2-enylamino)propylamino]propyl]propane-1,3-diamine
CID 45271264
N~1~,N~1~-Dimethylpropane-1,3-diamine--2-methylprop-1-ene (1/1)
CID 160336
N-tert-Butyl-2-methylprop-2-en-1-amine
CID 14244679
5-Methyl-11-methylidene-5,9-diaza-1-azoniabicyclo[7.3.3]pentadecane iodide
CID 139119747
N,N'-dimethyl-2-methylene-trimethylenediamine
CID 12427674
Bis(2-methylallyl)amine hydrochloride
CID 21496889
N,N'-dibutyl-2-methylidenepropane-1,3-diamine
CID 10608042
11-Methylidene-1,5,9-triazabicyclo[7.3.3]pentadecane
CID 13677181
N-prenylputrescin
CID 102249184
1,1-Bis(2'-aminoethylaminomethyl)-ethene
CID 129830578

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-(2-methylprop-2-enylamino)propyl]azanium?
The IUPAC name of trimethyl-[3-(2-methylprop-2-enylamino)propyl]azanium (CID 14877281) is trimethyl-[3-(2-methylprop-2-enylamino)propyl]azanium.
What is the SMILES notation for trimethyl-[3-(2-methylprop-2-enylamino)propyl]azanium?
The canonical SMILES for trimethyl-[3-(2-methylprop-2-enylamino)propyl]azanium is C=C(C)CNCCC[N+](C)(C)C.
What is the InChIKey of trimethyl-[3-(2-methylprop-2-enylamino)propyl]azanium?
The InChIKey is NRKBWFYBGVNWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N2/c1-10(2)9-11-7-6-8-12(3,4)5/h11H,1,6-9H2,2-5H3/q+1.
What are the key properties of trimethyl-[3-(2-methylprop-2-enylamino)propyl]azanium?
trimethyl-[3-(2-methylprop-2-enylamino)propyl]azanium has a molecular weight of 171.31 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-(2-methylprop-2-enylamino)propyl]azanium is sourced from PubChem (CID 14877281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).