dimethyl-(prop-2-enoylamino)-propylazanium

C8H17N2O+ — CID 54001668

IUPACdimethyl-(prop-2-enoylamino)-propylazanium
SMILESC=CC(=O)N[N+](C)(C)CCC
InChIInChI=1S/C8H16N2O/c1-5-7-10(3,4)9-8(11)6-2/h6H,2,5,7H2,1,3-4H3/p+1
InChIKeyLNKLLSUFIYPFSZ-UHFFFAOYSA-O
MW157.24 g/mol
LogP0.69
Rot. Bonds4

About dimethyl-(prop-2-enoylamino)-propylazanium

dimethyl-(prop-2-enoylamino)-propylazanium (PubChem CID 54001668) has the molecular formula C8H17N2O+ and a molecular weight of 157.24 g/mol. Its IUPAC name is dimethyl-(prop-2-enoylamino)-propylazanium.

Molecular Properties

Compound Namedimethyl-(prop-2-enoylamino)-propylazanium
PubChem CID54001668
Molecular FormulaC8H17N2O+
Molecular Weight157.24 g/mol
Exact Mass157.13
IUPAC Namedimethyl-(prop-2-enoylamino)-propylazanium
SMILESC=CC(=O)N[N+](C)(C)CCC
InChIInChI=1S/C8H16N2O/c1-5-7-10(3,4)9-8(11)6-2/h6H,2,5,7H2,1,3-4H3/p+1
InChIKeyLNKLLSUFIYPFSZ-UHFFFAOYSA-O
XLogP0.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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-(prop-2-enoylamino)-propylazanium?
The IUPAC name of dimethyl-(prop-2-enoylamino)-propylazanium (CID 54001668) is dimethyl-(prop-2-enoylamino)-propylazanium.
What is the SMILES notation for dimethyl-(prop-2-enoylamino)-propylazanium?
The canonical SMILES for dimethyl-(prop-2-enoylamino)-propylazanium is C=CC(=O)N[N+](C)(C)CCC.
What is the InChIKey of dimethyl-(prop-2-enoylamino)-propylazanium?
The InChIKey is LNKLLSUFIYPFSZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H16N2O/c1-5-7-10(3,4)9-8(11)6-2/h6H,2,5,7H2,1,3-4H3/p+1.
What are the key properties of dimethyl-(prop-2-enoylamino)-propylazanium?
dimethyl-(prop-2-enoylamino)-propylazanium has a molecular weight of 157.24 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(prop-2-enoylamino)-propylazanium is sourced from PubChem (CID 54001668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).