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

C10H21ClN2O — CID 10466072

IUPACtrimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium chloride
SMILESC=C(C)C(=O)NC(CC)[N+](C)(C)C.[Cl-]
InChIInChI=1S/C10H20N2O.ClH/c1-7-9(12(4,5)6)11-10(13)8(2)3;/h9H,2,7H2,1,3-6H3;1H
InChIKeyMDHBSXFSBCZGBZ-UHFFFAOYSA-N
MW220.74 g/mol
LogP-1.88
Rot. Bonds4

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

trimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium chloride (PubChem CID 10466072) has the molecular formula C10H21ClN2O and a molecular weight of 220.74 g/mol. Its IUPAC name is trimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium chloride.

Molecular Properties

Compound Nametrimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium chloride
PubChem CID10466072
Molecular FormulaC10H21ClN2O
Molecular Weight220.74 g/mol
Exact Mass220.13
IUPAC Nametrimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium chloride
SMILESC=C(C)C(=O)NC(CC)[N+](C)(C)C.[Cl-]
InChIInChI=1S/C10H20N2O.ClH/c1-7-9(12(4,5)6)11-10(13)8(2)3;/h9H,2,7H2,1,3-6H3;1H
InChIKeyMDHBSXFSBCZGBZ-UHFFFAOYSA-N
XLogP-1.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 5-1.88
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': 'Michael_acceptor_1', '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-enoylamino)propyl]azanium chloride?
The IUPAC name of trimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium chloride (CID 10466072) is trimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium chloride.
What is the SMILES notation for trimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium chloride?
The canonical SMILES for trimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium chloride is C=C(C)C(=O)NC(CC)[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium chloride?
The InChIKey is MDHBSXFSBCZGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.ClH/c1-7-9(12(4,5)6)11-10(13)8(2)3;/h9H,2,7H2,1,3-6H3;1H.
What are the key properties of trimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium chloride?
trimethyl-[1-(2-methylprop-2-enoylamino)propyl]azanium chloride has a molecular weight of 220.74 g/mol, XLogP of -1.88, 4 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-enoylamino)propyl]azanium chloride is sourced from PubChem (CID 10466072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).