dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium

C10H21N2O+ — CID 10192686

IUPACdimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium
SMILESC=C(C)C(=O)NC[N+](C)(C)CCC
InChIInChI=1S/C10H20N2O/c1-6-7-12(4,5)8-11-10(13)9(2)3/h2,6-8H2,1,3-5H3/p+1
InChIKeyOFTQXUUDDADFNU-UHFFFAOYSA-O
MW185.29 g/mol
LogP1.12
Rot. Bonds5

About dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium

dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium (PubChem CID 10192686) has the molecular formula C10H21N2O+ and a molecular weight of 185.29 g/mol. Its IUPAC name is dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium.

Molecular Properties

Compound Namedimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium
PubChem CID10192686
Molecular FormulaC10H21N2O+
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Namedimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium
SMILESC=C(C)C(=O)NC[N+](C)(C)CCC
InChIInChI=1S/C10H20N2O/c1-6-7-12(4,5)8-11-10(13)9(2)3/h2,6-8H2,1,3-5H3/p+1
InChIKeyOFTQXUUDDADFNU-UHFFFAOYSA-O
XLogP1.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.12
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 dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium?
The IUPAC name of dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium (CID 10192686) is dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium.
What is the SMILES notation for dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium?
The canonical SMILES for dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium is C=C(C)C(=O)NC[N+](C)(C)CCC.
What is the InChIKey of dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium?
The InChIKey is OFTQXUUDDADFNU-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H20N2O/c1-6-7-12(4,5)8-11-10(13)9(2)3/h2,6-8H2,1,3-5H3/p+1.
What are the key properties of dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium?
dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium has a molecular weight of 185.29 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium is sourced from PubChem (CID 10192686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).