1-formamidopropyl(trimethyl)azanium

C7H17N2O+ — CID 19962290

IUPAC1-formamidopropyl(trimethyl)azanium
SMILESCCC(NC=O)[N+](C)(C)C
InChIInChI=1S/C7H16N2O/c1-5-7(8-6-10)9(2,3)4/h6-7H,5H2,1-4H3/p+1
InChIKeyLTHSJASWOUQFFJ-UHFFFAOYSA-O
MW145.23 g/mol
LogP0.17
Rot. Bonds4

About 1-formamidopropyl(trimethyl)azanium

1-formamidopropyl(trimethyl)azanium (PubChem CID 19962290) has the molecular formula C7H17N2O+ and a molecular weight of 145.23 g/mol. Its IUPAC name is 1-formamidopropyl(trimethyl)azanium.

Molecular Properties

Compound Name1-formamidopropyl(trimethyl)azanium
PubChem CID19962290
Molecular FormulaC7H17N2O+
Molecular Weight145.23 g/mol
Exact Mass145.13
IUPAC Name1-formamidopropyl(trimethyl)azanium
SMILESCCC(NC=O)[N+](C)(C)C
InChIInChI=1S/C7H16N2O/c1-5-7(8-6-10)9(2,3)4/h6-7H,5H2,1-4H3/p+1
InChIKeyLTHSJASWOUQFFJ-UHFFFAOYSA-O
XLogP0.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-formamidopropyl(trimethyl)azanium?
The IUPAC name of 1-formamidopropyl(trimethyl)azanium (CID 19962290) is 1-formamidopropyl(trimethyl)azanium.
What is the SMILES notation for 1-formamidopropyl(trimethyl)azanium?
The canonical SMILES for 1-formamidopropyl(trimethyl)azanium is CCC(NC=O)[N+](C)(C)C.
What is the InChIKey of 1-formamidopropyl(trimethyl)azanium?
The InChIKey is LTHSJASWOUQFFJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H16N2O/c1-5-7(8-6-10)9(2,3)4/h6-7H,5H2,1-4H3/p+1.
What are the key properties of 1-formamidopropyl(trimethyl)azanium?
1-formamidopropyl(trimethyl)azanium has a molecular weight of 145.23 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formamidopropyl(trimethyl)azanium is sourced from PubChem (CID 19962290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).