trimethyl-[1-(2-methylprop-2-enylamino)propyl]azanium chloride

C10H23ClN2 — CID 87195917

IUPACtrimethyl-[1-(2-methylprop-2-enylamino)propyl]azanium chloride
SMILESC=C(C)CNC(CC)[N+](C)(C)C.[Cl-]
InChIInChI=1S/C10H23N2.ClH/c1-7-10(12(4,5)6)11-8-9(2)3;/h10-11H,2,7-8H2,1,3-6H3;1H/q+1;/p-1
InChIKeyNFFDDLIHEVVQCO-UHFFFAOYSA-M
MW206.76 g/mol
LogP-1.40
Rot. Bonds5

About trimethyl-[1-(2-methylprop-2-enylamino)propyl]azanium chloride

trimethyl-[1-(2-methylprop-2-enylamino)propyl]azanium chloride (PubChem CID 87195917) has the molecular formula C10H23ClN2 and a molecular weight of 206.76 g/mol. Its IUPAC name is trimethyl-[1-(2-methylprop-2-enylamino)propyl]azanium chloride.

Molecular Properties

Compound Nametrimethyl-[1-(2-methylprop-2-enylamino)propyl]azanium chloride
PubChem CID87195917
Molecular FormulaC10H23ClN2
Molecular Weight206.76 g/mol
Exact Mass206.15
IUPAC Nametrimethyl-[1-(2-methylprop-2-enylamino)propyl]azanium chloride
SMILESC=C(C)CNC(CC)[N+](C)(C)C.[Cl-]
InChIInChI=1S/C10H23N2.ClH/c1-7-10(12(4,5)6)11-8-9(2)3;/h10-11H,2,7-8H2,1,3-6H3;1H/q+1;/p-1
InChIKeyNFFDDLIHEVVQCO-UHFFFAOYSA-M
XLogP-1.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.76
LogP ≤ 5-1.40
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-(2-methylprop-2-enylamino)propyl]azanium chloride?
The IUPAC name of trimethyl-[1-(2-methylprop-2-enylamino)propyl]azanium chloride (CID 87195917) is trimethyl-[1-(2-methylprop-2-enylamino)propyl]azanium chloride.
What is the SMILES notation for trimethyl-[1-(2-methylprop-2-enylamino)propyl]azanium chloride?
The canonical SMILES for trimethyl-[1-(2-methylprop-2-enylamino)propyl]azanium chloride is C=C(C)CNC(CC)[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl-[1-(2-methylprop-2-enylamino)propyl]azanium chloride?
The InChIKey is NFFDDLIHEVVQCO-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H23N2.ClH/c1-7-10(12(4,5)6)11-8-9(2)3;/h10-11H,2,7-8H2,1,3-6H3;1H/q+1;/p-1.
What are the key properties of trimethyl-[1-(2-methylprop-2-enylamino)propyl]azanium chloride?
trimethyl-[1-(2-methylprop-2-enylamino)propyl]azanium chloride has a molecular weight of 206.76 g/mol, XLogP of -1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-(2-methylprop-2-enylamino)propyl]azanium chloride is sourced from PubChem (CID 87195917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).