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

C10H23ClN2 — CID 14877280

IUPACtrimethyl-[3-(2-methylprop-2-enylamino)propyl]azanium chloride
SMILESC=C(C)CNCCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C10H23N2.ClH/c1-10(2)9-11-7-6-8-12(3,4)5;/h11H,1,6-9H2,2-5H3;1H/q+1;/p-1
InChIKeyYDBSQHQUSPGUGC-UHFFFAOYSA-M
MW206.76 g/mol
LogP-1.75
Rot. Bonds6

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

trimethyl-[3-(2-methylprop-2-enylamino)propyl]azanium chloride (PubChem CID 14877280) has the molecular formula C10H23ClN2 and a molecular weight of 206.76 g/mol. Its IUPAC name is trimethyl-[3-(2-methylprop-2-enylamino)propyl]azanium chloride.

Molecular Properties

Compound Nametrimethyl-[3-(2-methylprop-2-enylamino)propyl]azanium chloride
PubChem CID14877280
Molecular FormulaC10H23ClN2
Molecular Weight206.76 g/mol
Exact Mass206.15
IUPAC Nametrimethyl-[3-(2-methylprop-2-enylamino)propyl]azanium chloride
SMILESC=C(C)CNCCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C10H23N2.ClH/c1-10(2)9-11-7-6-8-12(3,4)5;/h11H,1,6-9H2,2-5H3;1H/q+1;/p-1
InChIKeyYDBSQHQUSPGUGC-UHFFFAOYSA-M
XLogP-1.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.76
LogP ≤ 5-1.75
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

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
5-Methyl-11-methylidene-5,9-diaza-1-azoniabicyclo[7.3.3]pentadecane iodide
CID 139119747
Allyl(3-aminopropyl)dimethylammonium chloride
CID 3017460
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
1,1-Bis(2'-aminoethylaminomethyl)-ethene
CID 129830578
1,12-Diamino-2,11-bis(methylidene)-4,9-diazadodecane
CID 129865002
1,8-Diamino-2-(methylidene)-4-azaoctane
CID 166176565
1,8-Diamino-2-(methylidene)-4-azaoctane trihydrochloride
CID 166176578
N-ethyl-N'-methyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 103069498

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-(2-methylprop-2-enylamino)propyl]azanium chloride?
The IUPAC name of trimethyl-[3-(2-methylprop-2-enylamino)propyl]azanium chloride (CID 14877280) is trimethyl-[3-(2-methylprop-2-enylamino)propyl]azanium chloride.
What is the SMILES notation for trimethyl-[3-(2-methylprop-2-enylamino)propyl]azanium chloride?
The canonical SMILES for trimethyl-[3-(2-methylprop-2-enylamino)propyl]azanium chloride is C=C(C)CNCCC[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl-[3-(2-methylprop-2-enylamino)propyl]azanium chloride?
The InChIKey is YDBSQHQUSPGUGC-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H23N2.ClH/c1-10(2)9-11-7-6-8-12(3,4)5;/h11H,1,6-9H2,2-5H3;1H/q+1;/p-1.
What are the key properties of trimethyl-[3-(2-methylprop-2-enylamino)propyl]azanium chloride?
trimethyl-[3-(2-methylprop-2-enylamino)propyl]azanium chloride has a molecular weight of 206.76 g/mol, XLogP of -1.75, 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 chloride is sourced from PubChem (CID 14877280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).