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

C10H21N2O+ — CID 3016666

IUPACtrimethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium
SMILESC=C(C)C(=O)NC(C)C[N+](C)(C)C
InChIInChI=1S/C10H20N2O/c1-8(2)10(13)11-9(3)7-12(4,5)6/h9H,1,7H2,2-6H3/p+1
InChIKeyQLBAQQCNCCHNEV-UHFFFAOYSA-O
MW185.29 g/mol
LogP0.77
Rot. Bonds4

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

trimethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium (PubChem CID 3016666) has the molecular formula C10H21N2O+ and a molecular weight of 185.29 g/mol. Its IUPAC name is trimethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium
PubChem CID3016666
Molecular FormulaC10H21N2O+
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Nametrimethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium
SMILESC=C(C)C(=O)NC(C)C[N+](C)(C)C
InChIInChI=1S/C10H20N2O/c1-8(2)10(13)11-9(3)7-12(4,5)6/h9H,1,7H2,2-6H3/p+1
InChIKeyQLBAQQCNCCHNEV-UHFFFAOYSA-O
XLogP0.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-[2-(2-methylprop-2-enoylamino)propyl]azanium?
The IUPAC name of trimethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium (CID 3016666) is trimethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium.
What is the SMILES notation for trimethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium?
The canonical SMILES for trimethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium is C=C(C)C(=O)NC(C)C[N+](C)(C)C.
What is the InChIKey of trimethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium?
The InChIKey is QLBAQQCNCCHNEV-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H20N2O/c1-8(2)10(13)11-9(3)7-12(4,5)6/h9H,1,7H2,2-6H3/p+1.
What are the key properties of trimethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium?
trimethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium has a molecular weight of 185.29 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(2-methylprop-2-enoylamino)propyl]azanium is sourced from PubChem (CID 3016666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).